| Year |
Citation |
Score |
| 2009 |
Farazdel A, Westgate WM, Simas AM, Sagar RP, Smith VH. Validity of the mass-velocity term in the Breit-Pauli hamiltonian International Journal of Quantum Chemistry. 28: 61-68. DOI: 10.1002/Qua.560280808 |
0.751 |
|
| 2009 |
Broclawik E, Smith VH. Electronic structure of selenium chains by the SCF-SW-Xα method International Journal of Quantum Chemistry. 18: 395-403. DOI: 10.1002/Qua.560180841 |
0.336 |
|
| 2009 |
Singh SR, Smith VH. Perturbation treatment of the hartree-fock-slater (Xα) equations for the three-electron ions International Journal of Quantum Chemistry. 5: 421-428. DOI: 10.1002/Qua.560050850 |
0.313 |
|
| 2009 |
Benesch R, Smith VH. Exact and asymptotic X-ray intensity values from 20-parameter hylleraas-type wave functions. He and He-like ions International Journal of Quantum Chemistry. 5: 35-45. DOI: 10.1002/Qua.560050806 |
0.341 |
|
| 2009 |
Benesch R, Smith VH. Natural orbitals in momentum space and correlated radial momentum distributions: I. The 1S ground state of li+ International Journal of Quantum Chemistry. 5: 131-138. DOI: 10.1002/Qua.560050712 |
0.361 |
|
| 2009 |
Mcnaughton DJ, Smith VH. An investigation of the kohn-sham and slater approximations to the hartree-fock exchange potential International Journal of Quantum Chemistry. 4: 775-788. DOI: 10.1002/Qua.560040740 |
0.392 |
|
| 2009 |
Benesch R, Smith VH. Correlation effects in X-Ray and electron scattering International Journal of Quantum Chemistry. 4: 413-421. DOI: 10.1002/Qua.560040708 |
0.358 |
|
| 2006 |
Xie JRH, Smith VH, Allen RE. Spectroscopic properties of dipicolinic acid and its dianion Chemical Physics. 322: 254-268. DOI: 10.1016/J.Chemphys.2005.08.040 |
0.341 |
|
| 2005 |
Harris FE, Smith VH. Highly compact wave functions for He-like systems. The Journal of Physical Chemistry. A. 109: 11413-6. PMID 16354029 DOI: 10.1021/Jp0531098 |
0.329 |
|
| 2005 |
Harris FE, Frolov AM, Smith VH. Singular integrals and their application to a hypervirial theorem Physical Review a - Atomic, Molecular, and Optical Physics. 72. DOI: 10.1103/Physreva.72.012511 |
0.328 |
|
| 2005 |
Harris FE, Smith VH. Highly Compact Wavefunctions for Two-Electron Systems Advances in Quantum Chemistry. 48: 21. DOI: 10.1016/S0065-3276(05)48021-1 |
0.353 |
|
| 2004 |
Harris FE, Frolov AM, Smith VH. Singular and nonsingular three-body integrals for exponential wave functions. The Journal of Chemical Physics. 121: 6323-33. PMID 15446928 DOI: 10.1063/1.1786912 |
0.317 |
|
| 2004 |
Harris FE, Frolov AM, Smith VH. Comment on "Analysis of some integrals arising in the atomic four-electron problem" [J. Chem. Phys. 99, 3622 (1993)]. The Journal of Chemical Physics. 120: 3040-1; author reply. PMID 15268451 DOI: 10.1063/1.1638993 |
0.33 |
|
| 2004 |
Harris FE, Frolov AM, Smith VH. Highly accurate evaluation of atomic three-electron integrals of lowest orders. The Journal of Chemical Physics. 120: 9974-83. PMID 15268016 DOI: 10.1063/1.1735537 |
0.357 |
|
| 2004 |
Harris FE, Frolov AM, Smith VH. Comment on "Analytic value of the atomic three-electron correlation integral with Slater wave functions" Physical Review a - Atomic, Molecular, and Optical Physics. 69: 056501-1. DOI: 10.1103/Physreva.69.056501 |
0.386 |
|
| 2004 |
Frolov AM, Smith VH. Exponential representation in the Coulomb three-body problem Journal of Physics B: Atomic, Molecular and Optical Physics. 37: 2917-2932. DOI: 10.1088/0953-4075/37/14/006 |
0.324 |
|
| 2004 |
Duan G, Smith VH, Weaver DF. Validation of the Applicability of Force Fields to Reproduce Ab Initio Noncovalent Interactions Involving Aromatic Groups Advances in Quantum Chemistry. 47: 65-92. DOI: 10.1016/S0065-3276(04)47005-1 |
0.763 |
|
| 2004 |
Riad Manaa M, Xie R, Smith VH. Structure, vibrational, and electronic spectra of heterofullerene C48(BN)6 Chemical Physics Letters. 387: 101-105. DOI: 10.1016/J.Cplett.2004.01.115 |
0.306 |
|
| 2004 |
Harris FE, Frolov AM, Smith VH. New methods for old Coulomb few-body problems International Journal of Quantum Chemistry. 100: 1086-1091. DOI: 10.1002/Qua.20170 |
0.325 |
|
| 2003 |
Frolov AM, Smith VH. Exponential variational expansion in relative coordinates and scalar coupling coefficients for three-body systems Journal of Physics B: Atomic, Molecular and Optical Physics. 36: 1739-1753. DOI: 10.1088/0953-4075/36/9/306 |
0.321 |
|
| 2003 |
Frolov AM, Smith VH. Natural orbital expansions of highly accurate three-body wavefunctions Journal of Physics B: Atomic, Molecular and Optical Physics. 36: 4837-4848. DOI: 10.1088/0953-4075/36/24/007 |
0.353 |
|
| 2003 |
Tripathi AN, Schmider HL, Smith VH. Directional Compton profiles and reciprocal form factors for the isoelectronic hydrides PH3, H2S and HCl Journal of Physics B: Atomic, Molecular and Optical Physics. 36: 4581-4593. DOI: 10.1088/0953-4075/36/22/016 |
0.379 |
|
| 2003 |
Harris FE, Frolov AM, Smith VH. Exponential variational expansion in relative coordinates for highly accurate bound state calculations in four-body systems Journal of Chemical Physics. 119: 8833-8841. DOI: 10.1063/1.1613943 |
0.316 |
|
| 2003 |
Xie RH, Bryant GW, Jensen L, Zhao J, Smith VH. First-principles calculations of structural, electronic, vibrational, and magnetic properties of C60 and C48N12: A comparative study Journal of Chemical Physics. 118: 8621-8635. DOI: 10.1063/1.1566742 |
0.345 |
|
| 2003 |
Cui Q, Smith VH. Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory The Journal of Chemical Physics. 118: 279-290. DOI: 10.1063/1.1524617 |
0.384 |
|
| 2003 |
Xie R, Bryant GW, Smith VH. Electronic, vibrational and magnetic properties of a novel C48N12 aza-fullerene Chemical Physics Letters. 368: 486-494. DOI: 10.1016/S0009-2614(02)01914-0 |
0.304 |
|
| 2002 |
Smith GT, Schmider HL, Smith VH. Electron correlation and the eigenvalues of the one-matrix Physical Review A. 65. DOI: 10.1103/Physreva.65.032508 |
0.356 |
|
| 2002 |
Sagar RP, Ramı́rez JC, Esquivel RO, Hô M, Smith VH. Relationships between Jaynes entropy of the one-particle density matrix and Shannon entropy of the electron densities The Journal of Chemical Physics. 116: 9213-9221. DOI: 10.1063/1.1473806 |
0.677 |
|
| 2002 |
Duan G, Smith VH, Weaver DF. Data mining, ab initio, and molecular mechanics study on conformation of phenylalanine and its interaction with neighboring backbone amide groups in proteins International Journal of Quantum Chemistry. 90: 669-683. DOI: 10.1002/Qua.956 |
0.763 |
|
| 2002 |
Smith GT, Smith VH, Frolov AM. Structures and properties of the hydrides of light elements International Journal of Quantum Chemistry. 90: 1421-1427. DOI: 10.1002/Qua.10349 |
0.31 |
|
| 2001 |
Sagar RP, Ramírez JC, Esquivel RO, Hô M, Smith VH. Shannon entropies and logarithmic mean excitation energies from cusp- and asymptotic-constrained model densities Physical Review A. 63. DOI: 10.1103/Physreva.63.022509 |
0.647 |
|
| 2001 |
Neerja, Tripathi AN, Smith VH. Directional Compton profiles, valence orbital momentum distributions and B(r) functions for the silane molecule Journal of Physics B. 34: 1233-1243. DOI: 10.1088/0953-4075/34/7/307 |
0.392 |
|
| 2001 |
Duan G, Smith VH, Weaver DF. Characterization of aromatic-thiol π-type hydrogen bonding and phenylalanine-cysteine side chain interactions through ab initio calculations and protein database analyses Molecular Physics. 99: 1689-1699. DOI: 10.1080/00268970110063917 |
0.767 |
|
| 2001 |
HÔ M, SMITH VH, SAGAR RP, ESQIVEL RO. Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems Molecular Physics. 99: 1727-1728. DOI: 10.1080/00268970110051695 |
0.646 |
|
| 2001 |
Xie RH, Smith VH. Generation of higher-order atomic dipole squeezing in a high-Q micromaser cavity. (III) Effect of the dynamic Stark shift in two-photon processes Physica a: Statistical Mechanics and Its Applications. 301: 129-149. DOI: 10.1016/S0378-4371(01)00377-6 |
0.344 |
|
| 2000 |
Hồ M, Clark BJ, Smith VH, Weaver DF, Gatti C, Sagar RP, Esquivel RO. Shannon information entropies of molecules and functional groups in the self-consistent reaction field The Journal of Chemical Physics. 112: 7572-7580. DOI: 10.1063/1.481366 |
0.768 |
|
| 2000 |
Cui Q, Smith VH. Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model The Journal of Chemical Physics. 113: 10240-10245. DOI: 10.1063/1.1313788 |
0.386 |
|
| 2000 |
Duan G, Smith VH, Weaver DF. A data mining and ab initio study of the interaction between the aromatic and backbone amide groups in proteins International Journal of Quantum Chemistry. 80: 44-60. DOI: 10.1002/1097-461X(2000)80:1<44::Aid-Qua4>3.0.Co;2-K |
0.748 |
|
| 2000 |
H� M, Schmider HL, Weaver DF, Smith VH, Sagar RP, Esquivel RO. Shannon entropy of chemical changes:SN2 displacement reactions International Journal of Quantum Chemistry. 77: 376-382. DOI: 10.1002/(Sici)1097-461X(2000)77:1<376::Aid-Qua37>3.0.Co;2-3 |
0.737 |
|
| 1999 |
Esquivel RO, Sagar RP, Smith VH, Chen J, Stott MJ. Erratum: Pseudoconvexity of the atomic electron density: A numerical study [Phys. Rev. A47, 4735 (1993)] Physical Review A. 61. DOI: 10.1103/Physreva.61.019901 |
0.66 |
|
| 1999 |
Smith GT, Tripathi AN, Smith VH. X-ray and electron scattering intensities of molecules calculated using density functional theory The Journal of Chemical Physics. 110: 9390-9400. DOI: 10.1063/1.478904 |
0.389 |
|
| 1999 |
Ziesche P, Smith VH, Hô M, Rudin SP, Gersdorf P, Taut M. The He isoelectronic series and the Hooke’s law model: Correlation measures and modifications of Collins’ conjecture The Journal of Chemical Physics. 110: 6135-6142. DOI: 10.1063/1.478560 |
0.307 |
|
| 1999 |
Clark BJ, Schmider HL, Smith VH. On hybrid orbitals in momentum space Theoretical and Computational Chemistry. 6: 213-229. DOI: 10.1016/S1380-7323(99)80010-7 |
0.322 |
|
| 1999 |
Duan G, Smith VH, Weaver DF. An ab initio and data mining study on aromatic–amide interactions Chemical Physics Letters. 310: 323-332. DOI: 10.1016/S0009-2614(99)00804-0 |
0.768 |
|
| 1998 |
Ramírez JC, Pérez JMH, Sagar RP, Esquivel RO, Hô M, Smith VH. Amount of information present in the one-particle density matrix and the charge density Physical Review A. 58: 3507-3515. DOI: 10.1103/Physreva.58.3507 |
0.631 |
|
| 1998 |
Hồ M, Weaver DF, Smith VH, Sagar RP, Esquivel RO. Calculating the logarithmic mean excitation energy from the Shannon information entropy of the electronic charge density Physical Review A. 57: 4512-4517. DOI: 10.1103/Physreva.57.4512 |
0.769 |
|
| 1998 |
Hò M, Weaver DF, Smith VH, Sagar RP, Esquivel RO, Yamamoto S. An information-entropic study of correlated densities of the water molecule Journal of Chemical Physics. 109: 10620-10627. DOI: 10.1063/1.477761 |
0.768 |
|
| 1998 |
Hồ M, Smith VH, Weaver DF, Gatti C, Sagar RP, Esquivel RO. Molecular similarity based on information entropies and distances The Journal of Chemical Physics. 108: 5469-5475. DOI: 10.1063/1.476316 |
0.764 |
|
| 1998 |
Esquivel RO, Vivier-Bunge A, Smith VH. Accurate determination of the Fermi-contact interaction in atomic lithium Journal of Molecular Structure: Theochem. 433: 43-50. DOI: 10.1016/S0166-1280(98)00009-8 |
0.41 |
|
| 1997 |
Ramírez JC, Soriano C, Esquivel RO, Sagar RP, Ho⁁ M, Smith VH. Jaynes information entropy of small molecules: Numerical evidence of the Collins conjecture Physical Review A. 56: 4477-4482. DOI: 10.1103/Physreva.56.4477 |
0.663 |
|
| 1997 |
WANG J, SMITH VH. Electrostatic potential at the nucleus in atoms from 1/Z expansion Molecular Physics. 90: 1027-1030. DOI: 10.1080/00268979709482687 |
0.324 |
|
| 1997 |
Frolov AM, Smith VH. Exact finite series for the few-body auxiliary functions International Journal of Quantum Chemistry. 63: 269-278. DOI: 10.1002/(Sici)1097-461X(1997)63:1<269::Aid-Qua28>3.0.Co;2-5 |
0.304 |
|
| 1996 |
Tripathi AN, Smith VH, Sagar RP, Esquivel RO. Electron correlation in momentum space for the neon-atom isoelectronic sequence from F- through Ar8+ Physical Review. A. 54: 1877-1883. PMID 9913674 DOI: 10.1103/Physreva.54.1877 |
0.649 |
|
| 1996 |
Esquivel RO, Rodríguez AL, Sagar RP, Hô M, Smith VH. Physical interpretation of information entropy: Numerical evidence of the Collins conjecture. Physical Review. A. 54: 259-265. PMID 9913476 DOI: 10.1103/Physreva.54.259 |
0.598 |
|
| 1996 |
Wang J, Clark BJ, Schmider H, Smith VH. Topological analysis of electron momentum densities and the bond directional principle: the first-row hydrides, AH, and homonuclear diatomic molecules, A2 Canadian Journal of Chemistry. 74: 1187-1191. DOI: 10.1139/V96-133 |
0.404 |
|
| 1996 |
Frolov AM, Smith VH. The properties of the helium - muonic atoms in the electron excited states and four-body helium - muonic ions Journal of Physics B: Atomic, Molecular and Optical Physics. 29: 5969-5980. DOI: 10.1088/0953-4075/29/23/036 |
0.374 |
|
| 1996 |
Frolov AM, Smith VH. The CMP-invariance for symmetrical Coulomb four-body systems with unit charges Journal of Physics B: Atomic, Molecular and Optical Physics. 29: L433-L440. DOI: 10.1088/0953-4075/29/11/008 |
0.303 |
|
| 1995 |
Wang J, Smith VH. 1/Z expansions for isoelectronic systems from He through Ar. Physical Review. A. 52: 1060-1066. PMID 9912344 DOI: 10.1103/Physreva.52.1060 |
0.307 |
|
| 1995 |
Wang J, Esquivel RO, Smith VH, Bunge CF. Accurate elastic and inelastic scattering factors from He to Ne using correlated wave functions. Physical Review. A. 51: 3812-3818. PMID 9912052 DOI: 10.1103/Physreva.51.3812 |
0.621 |
|
| 1995 |
Nagy J, Weaver DF, Smith VH. Ab initio methane dimer intermolecular potentials Molecular Physics. 85: 1179-1192. DOI: 10.1080/00268979500101751 |
0.649 |
|
| 1995 |
Wang J, Becke AD, Smith VH. Evaluation of 〈S2〉 in restricted, unrestricted Hartree–Fock, and density functional based theories The Journal of Chemical Physics. 102: 3477-3480. DOI: 10.1063/1.468585 |
0.358 |
|
| 1995 |
Nagy J, Smith VH, Weaver DF. Critical Evaluation of Benzene Analytical Nonbonded Force Fields. Reparametrization of the MM3 Potential The Journal of Physical Chemistry. 99: 13868-13875. DOI: 10.1021/J100038A018 |
0.585 |
|
| 1995 |
Nagy J, Weaver DF, Smith VH. A Comprehensive Study of Alkane Nonbonded Empirical Force Fields. Suggestions for Improved Parameter Sets The Journal of Physical Chemistry. 99: 8058-8065. DOI: 10.1021/J100020A032 |
0.586 |
|
| 1995 |
Graham JE, Ripley DC, Smith JT, Smith VH, Weaver DF. Theoretical studies applied to drug design: ab initio electronic distributions in bioisosteres Journal of Molecular Structure: Theochem. 343: 105-109. DOI: 10.1016/0166-1280(95)90533-2 |
0.61 |
|
| 1995 |
Nagy J, Smith VH, Weaver DF. Validation of a reparameterized MM3 non-bonded force field for hydrocarbons: crystal lattice studies of C60 and C70 and adsorption of hydrocarbons onto graphite Journal of Molecular Structure: Theochem. 358: 71-77. DOI: 10.1016/0166-1280(95)04339-X |
0.624 |
|
| 1995 |
H� M, Sagar RP, Weaver DF, Smith VH. An investigation of the dependence of Shannon information entropies and distance measures on molecular geometry International Journal of Quantum Chemistry. 56: 109-115. DOI: 10.1002/Qua.560560811 |
0.737 |
|
| 1995 |
Wang J, Smith VH. Fermi and Coulomb holes of molecules in excited states International Journal of Quantum Chemistry. 56: 509-519. DOI: 10.1002/Qua.560560509 |
0.332 |
|
| 1995 |
Hô M, Sagar RP, Schmider H, Weaver DF, Smith VH. Measures of distance for atomic charge and momentum densities and their relationship to physical properties International Journal of Quantum Chemistry. 53: 627-633. DOI: 10.1002/Qua.560530606 |
0.767 |
|
| 1994 |
Schmider H, Sagar RP, Smith VH. Density differences for near-Hartree-Fock atomic wave functions. Physical Review. A. 49: 4229-4231. PMID 9910725 DOI: 10.1103/Physreva.49.4229 |
0.671 |
|
| 1994 |
Angulo JC, Schmider H, Sagar RP, Smith VH. Nonconvexity of the atomic charge density and shell structure. Physical Review. A. 49: 726-728. PMID 9910293 DOI: 10.1103/Physreva.49.726 |
0.659 |
|
| 1994 |
Ho M, Esquivel RO, Sagar RP, Smith VH. Atomic information entropies beyond the hartree-fock limit Journal of Physics B: Atomic, Molecular and Optical Physics. 27: 5149-5157. DOI: 10.1088/0953-4075/27/21/009 |
0.691 |
|
| 1994 |
Nagy J, Smith VH, Weaver DF. Calculation of second virial coefficients of alkanes with the MM2 and MM3 force fields Molecular Physics. 81: 1039-1047. DOI: 10.1080/00268979400100691 |
0.624 |
|
| 1994 |
Wang J, Tripathi AN, Smith VH. Chemical binding and electron correlation effects in x‐ray and high energy electron scattering The Journal of Chemical Physics. 101: 4842-4854. DOI: 10.1063/1.467407 |
0.382 |
|
| 1994 |
Michalak A, Mrozek J, Smith VH, Weaver DF. A molecular orbital study of two vasoconstricting mycotoxins: butenolide and ergotamine Journal of Molecular Structure: Theochem. 305: 1-7. DOI: 10.1016/0166-1280(94)80135-5 |
0.641 |
|
| 1994 |
Wang J, Smith VH. Evaluation of electron pair densities and their Laplacians in atomic systems Chemical Physics Letters. 220: 331-336. DOI: 10.1016/0009-2614(94)00170-7 |
0.42 |
|
| 1994 |
Hô M, Sagar RP, Pérez-Jordá JM, Smith VH, Esquivel RO. A numerical study of molecular information entropies Chemical Physics Letters. 219: 15-20. DOI: 10.1016/0009-2614(94)00029-8 |
0.669 |
|
| 1994 |
Schmider H, Sagar RP, Smith VH. Atomic moment densities in position and momentum spaces Proceedings of the Indian Academy of Sciences - Chemical Sciences. 106: 133-142. DOI: 10.1007/BF02840737 |
0.661 |
|
| 1994 |
Wang J, Smith VH. Statistical electron correlation ? coefficients and ? holes in molecules Theoretica Chimica Acta. 88: 35-46. DOI: 10.1007/Bf01113732 |
0.369 |
|
| 1994 |
H� M, Schmider H, Edgecombe KE, Smith VH. Topological analysis of valence electron charge distributions from semiempirical andab initio methods International Journal of Quantum Chemistry. 52: 215-226. DOI: 10.1002/Qua.560520822 |
0.377 |
|
| 1994 |
Wang J, Smith VH. Evaluation of cross sections for X-ray and high-energy electron scattering from molecular systems International Journal of Quantum Chemistry. 52: 1145-1151. DOI: 10.1002/Qua.560520503 |
0.312 |
|
| 1994 |
Wang J, Smith VH. Electron-pair distributions and chemical bonding International Journal of Quantum Chemistry. 49: 147-157. DOI: 10.1002/Qua.560490307 |
0.39 |
|
| 1993 |
Esquivel RO, Sagar RP, Smith VH, Chen J, Stott MJ. Pseudoconvexity of the atomic electron density: A numerical study. Physical Review. A. 47: 4735-4748. PMID 9909500 DOI: 10.1103/Physreva.47.4735 |
0.701 |
|
| 1993 |
Sagar RP, Esquivel RO, Schmider H, Tripathi AN, Smith VH. Nonmonotonicity of the atomic electron momentum density. Physical Review. A. 47: 2625-2627. PMID 9909231 DOI: 10.1103/Physreva.47.2625 |
0.693 |
|
| 1993 |
Esquivel RO, Chen J, Stott MJ, Sagar RP, Smith VH. Pseudoconvexity of the atomic electron density: Lower and upper bounds. Physical Review. A. 47: 936-943. PMID 9909014 DOI: 10.1103/Physreva.47.936 |
0.69 |
|
| 1993 |
Schmider H, Smith VH. Atomic Orbitals from Compton Profiles Zeitschrift Fur Naturforschung - Section a Journal of Physical Sciences. 48: 221-226. DOI: 10.1515/Zna-1993-1-242 |
0.369 |
|
| 1993 |
Schmider H, Smith VH. On the Inference of the One-Particle Density Matrix from Position and Momentum-Space Form Factors Zeitschrift Fur Naturforschung - Section a Journal of Physical Sciences. 48: 211-220. DOI: 10.1515/Zna-1993-1-241 |
0.367 |
|
| 1993 |
Edgecombe KE, Smith VH. Nonnuclear Maxima in the Charge Density Zeitschrift Fur Naturforschung - Section a Journal of Physical Sciences. 48: 127-133. DOI: 10.1515/Zna-1993-1-229 |
0.418 |
|
| 1993 |
Wang J, Smith VH. Ab initio Study of the Spin Density of Nitroxide Radicals Zeitschrift Fur Naturforschung - Section a Journal of Physical Sciences. 48: 109-116. DOI: 10.1515/Zna-1993-1-225 |
0.303 |
|
| 1993 |
Wang J, Smith VH, Tripathi AN. Electron correlation shifts on pair densities of first-row hydrides Journal of Physics B: Atomic, Molecular and Optical Physics. 26: 205-219. DOI: 10.1088/0953-4075/26/2/005 |
0.395 |
|
| 1993 |
Schmider H, Esquivel RO, Sagar RP, Smith VH. Spin magnetic form factors for lithium and its isoelectronic series in position and momentum space Journal of Physics B: Atomic, Molecular and Optical Physics. 26: 2943-2955. DOI: 10.1088/0953-4075/26/17/025 |
0.673 |
|
| 1993 |
Wang J, Smith VH. One‐electron and electron pair densities of first‐row hydrides in momentum space The Journal of Chemical Physics. 99: 9745-9755. DOI: 10.1063/1.465456 |
0.399 |
|
| 1993 |
Brown AS, Smith VH. Ab initio electron density distributions in molecules containing sulfur–sulfur bonds The Journal of Chemical Physics. 99: 1837-1843. DOI: 10.1063/1.465301 |
0.386 |
|
| 1993 |
Mei CJ, Smith VH. The ab initio electronic structure and stability of the bucky tube Physica C: Superconductivity and Its Applications. 213: 157-160. DOI: 10.1016/0921-4534(93)90771-H |
0.304 |
|
| 1993 |
Wang JH, Sagar RP, Schmider H, Smith VH. X-Ray Elastic and Inelastic Scattering Factors for Neutral Atoms Z = 2-92 Atomic Data and Nuclear Data Tables. 53: 233-269. DOI: 10.1006/Adnd.1993.1006 |
0.655 |
|
| 1993 |
Mei C, Smith VH. Towards an understanding of the electronic structure of mott-insulating transition metal oxides International Journal of Quantum Chemistry. 48: 187-194. DOI: 10.1002/Qua.560480821 |
0.306 |
|
| 1993 |
Mei C, Edgecombe KE, Smith VH, Heilingbrunner A. Topological analysis of the charge density of solids:bcc sodium and lithium International Journal of Quantum Chemistry. 48: 287-293. DOI: 10.1002/Qua.560480503 |
0.308 |
|
| 1992 |
Mei CJ, Smith VH. Electronic structure of gamma -C. Physical Review. B, Condensed Matter. 46: 7179-7181. PMID 10002426 DOI: 10.1103/Physrevb.46.7179 |
0.344 |
|
| 1992 |
Szpunar B, Smith VH. Electronic structure of Bi4Sr4Ca2-xYxCu4O16 (x=0 and 1). Physical Review. B, Condensed Matter. 45: 10616-10621. PMID 10000968 DOI: 10.1103/Physrevb.45.10616 |
0.329 |
|
| 1992 |
Sagar RP, Schmider H, Smith VH. Asymptotic approximations from quadrature rules. Physical Review. A. 45: 6253-6258. PMID 9907744 DOI: 10.1103/Physreva.45.6253 |
0.659 |
|
| 1992 |
Tripathi AN, Sagar RP, Esquivel RO, Smith VH. Electron correlation in momentum space: The beryllium-atom isoelectronic sequence. Physical Review. A. 45: 4385-4392. PMID 9907513 DOI: 10.1103/Physreva.45.4385 |
0.685 |
|
| 1992 |
Thakkar AJ, Smith VH. High‐accuracy ab initio form factors for the hydride anion and isoelectronic species Acta Crystallographica Section A. 48: 70-71. DOI: 10.1107/S0108767391005883 |
0.523 |
|
| 1992 |
Esquivel RO, Tripathi AN, Sagar RP, Smith VH. Accurate one-electron momentum-space properties for the lithium isoelectronic sequence Journal of Physics B: Atomic, Molecular and Optical Physics. 25: 2925-2941. DOI: 10.1088/0953-4075/25/13/003 |
0.693 |
|
| 1992 |
Sagar RP, Schmider H, Smith VH. Evaluation of fourier transforms by gauss-laguerre quadratures Journal of Physics a: Mathematical and General. 25: 189-195. DOI: 10.1088/0305-4470/25/1/023 |
0.592 |
|
| 1992 |
Wang J, Tripathi AN, Smith VH. The influence of electron correlation on anisotropic electron intracule and extracule densities The Journal of Chemical Physics. 97: 9188-9194. DOI: 10.1063/1.463294 |
0.399 |
|
| 1992 |
Edgecombe KE, Esquivel RO, Smith VH, Müller‐Plathe F. Pseudoatoms of the electron density The Journal of Chemical Physics. 97: 2593-2599. DOI: 10.1063/1.463099 |
0.401 |
|
| 1992 |
Schmider H, Edgecombe KE, Smith VH, Weyrich W. One‐particle density matrices along the molecular bonds in linear molecules The Journal of Chemical Physics. 96: 8411-8419. DOI: 10.1063/1.462293 |
0.363 |
|
| 1992 |
Schmider H, Smith VH, Weyrich W. Reconstruction of the one‐particle density matrix from expectation values in position and momentum space The Journal of Chemical Physics. 96: 8986-8994. DOI: 10.1063/1.462256 |
0.336 |
|
| 1992 |
da Costa HFM, Simas AM, Smith VH, Trsic M. The generator coordinate Hartree-Fock method for molecular systems. Near Hartree-Fock limit calculations for N2, CO and BF Chemical Physics Letters. 192: 195-198. DOI: 10.1016/0009-2614(92)85451-F |
0.639 |
|
| 1992 |
Sagar RP, Smith VH. On the calculation of Rys polynomials and quadratures International Journal of Quantum Chemistry. 42: 827-836. DOI: 10.1002/Qua.560420420 |
0.624 |
|
| 1991 |
Schmider H, Sagar RP, Smith VH. Does the atomic structure factor show atomic structure? The Journal of Chemical Physics. 94: 4346-4351. DOI: 10.1063/1.460621 |
0.647 |
|
| 1991 |
Schmider H, Sagar RP, Smith VH. On the determination of atomic shell boundaries The Journal of Chemical Physics. 94: 8627-8629. DOI: 10.1063/1.460049 |
0.643 |
|
| 1991 |
Woods RJ, Szarek WA, Smith VH. A comparison of semiempirical and ab initio methods for the study of structural features of relevance in carbohydrate chemistry Journal of the Chemical Society, Chemical Communications. 334-337. DOI: 10.1039/C39910000334 |
0.344 |
|
| 1991 |
Weaver DF, Khalil M, Smith VH. An AMI semi-empirical quantum mechanical study of the polyhydration of amino acid side chains Journal of Molecular Structure: Theochem. 226: 73-86. DOI: 10.1016/0166-1280(91)80006-T |
0.593 |
|
| 1991 |
Westgate WM, Sagar RP, Farazdel A, Smith VH, Simas AM, Thakkar AJ. Momentum-space properties of the neutral atoms from H through U Atomic Data and Nuclear Data Tables. 48: 213-229. DOI: 10.1016/0092-640X(91)90007-Q |
0.813 |
|
| 1991 |
Sagar RP, Smith VH, Simas AM. A Gaussian quadrature for the optimal evaluation of integrals involving Lorentzians over a semi-infinite interval Computer Physics Communications. 62: 16-24. DOI: 10.1016/0010-4655(91)90117-4 |
0.736 |
|
| 1991 |
Khalil M, Woods RJ, Weaver DF, Smith VH. An examination ofintermolecular andintramolecular hydrogen bonding in biomolecules by AM1 and MNDO/M semiempirical molecular orbital studies Journal of Computational Chemistry. 12: 584-593. DOI: 10.1002/Jcc.540120508 |
0.625 |
|
| 1990 |
Smith VH, Robertson DD, Tripathi AN. Monotonicity of the electron momentum density for atomic closed shells in a bare Coulomb field. Physical Review. A. 42: 61-62. PMID 9903776 DOI: 10.1103/Physreva.42.61 |
0.4 |
|
| 1990 |
Tripathi AN, Smith VH, Kaijser P, Diercksen GH. Ab initio calculations of one-electron-scattering properties of ethyne (acetylene) and ethylene molecules. Physical Review. A. 41: 2468-2481. PMID 9903379 DOI: 10.1103/Physreva.41.2468 |
0.35 |
|
| 1990 |
Jain AK, Tripathi AN, Smith VH. Elastic, inelastic and total cross sections for x-ray and electron scattering from molecular silane Journal of Physics B. 23: 2869-2878. DOI: 10.1088/0953-4075/23/16/025 |
0.307 |
|
| 1990 |
Szpunar B, Smith VH. Antiferromagnetism and semiconductivity Physica B: Condensed Matter. 163: 29-33. DOI: 10.1016/0921-4526(90)90121-A |
0.309 |
|
| 1990 |
Szpunar B, Smith VH. Calculation of orbital moments in solids Journal of Solid State Chemistry. 88: 217-228. DOI: 10.1016/0022-4596(90)90218-M |
0.376 |
|
| 1990 |
Woods RJ, Khalil M, Pell W, Moffat SH, Smith VH. Derivation of net atomic charges from molecular electrostatic potentials Journal of Computational Chemistry. 11: 297-310. DOI: 10.1002/Jcc.540110304 |
0.34 |
|
| 1989 |
Petelenz P, Smith VH. Vacuum-polarization correction in muonic molecules. Physical Review. a, General Physics. 39: 1016-1019. PMID 9901338 DOI: 10.1103/Physreva.39.1016 |
0.351 |
|
| 1989 |
Sagar RP, Ku ACT, Smith VH, Simas AM. Topographical features of the Laplacian of the momentum density of atoms and ions most indicative of shell structure The Journal of Chemical Physics. 90: 6520-6527. DOI: 10.1063/1.456318 |
0.755 |
|
| 1989 |
Szpunar B, Smith VH, SpaŁek J. Electronic structure of antiferromagnetic La2NiO4 and La1.5Sr0.5NiO4 systems Physica C: Superconductivity. 161: 503-511. DOI: 10.1016/0921-4534(89)90089-0 |
0.335 |
|
| 1989 |
Szpunar B, Smith VH, Smith R. Magnetism and electronic structure in the (123) and (2212) copper oxides Journal of Molecular Structure: Theochem. 202: 347-361. DOI: 10.1016/0166-1280(89)87029-0 |
0.318 |
|
| 1989 |
Szpunar B, Smith VH. Antiferromagnetism in copper oxide planes Journal of Molecular Structure: Theochem. 199: 313-326. DOI: 10.1016/0166-1280(89)80062-4 |
0.311 |
|
| 1989 |
Tripathi AN, Smith VH, Thakkar AJ. Scattering of fast electrons and X-rays from molecules: CH4 and C2H2 International Journal of Quantum Chemistry. 35: 869-885. DOI: 10.1002/Qua.560350621 |
0.54 |
|
| 1988 |
Sagar RP, Ku ACT, Smith VH, Simas AM. The Laplacian of the charge density and its relationship to the shell structure of atoms and ions The Journal of Chemical Physics. 88: 4367-4374. DOI: 10.1063/1.453796 |
0.765 |
|
| 1988 |
Cameron AD, Smith VH, Baird MC. A reconsideration of the role of slippage in the activation of co-ordinated olefins towards nucleophilic attack Journal of the Chemical Society-Dalton Transactions. 1037-1043. DOI: 10.1039/Dt9880001037 |
0.34 |
|
| 1988 |
Szpunar B, Smith V, Smith R. Electronic structure of antiferromagnetic YBa2Cu3O6 Physica C: Superconductivity. 152: 91-98. DOI: 10.1016/0921-4534(88)90076-7 |
0.31 |
|
| 1987 |
Kanhere DG, Farazdel A, Smith VH. Positron annihilation from F centers of alkali halide crystals. Physical Review. B, Condensed Matter. 35: 3131-3137. PMID 9941810 DOI: 10.1103/Physrevb.35.3131 |
0.338 |
|
| 1987 |
Petelenz P, Smith VH. Erratum: Exact matrix elements of the Uehling potential in a basis of explicitly correlated two-particle functions Physical Review. a, General Physics. 36: 4529-4530. PMID 9920568 DOI: 10.1103/Physreva.36.4529.2 |
0.322 |
|
| 1987 |
Petelenz P, Smith VH. Binding energies of muonic molecules. Physical Review. a, General Physics. 36: 4078-4080. PMID 9899350 DOI: 10.1103/Physreva.36.4078 |
0.354 |
|
| 1987 |
Kaijser P, Smith VH, Tripathi AN, Diercksen GH. Ab initio calculations of one-electron-scattering properties of methane. Physical Review. a, General Physics. 35: 4074-4084. PMID 9897994 DOI: 10.1103/Physreva.35.4074 |
0.341 |
|
| 1987 |
Woods RJ, Smith VH, Szarek WA, Farazdel A. Ab initio LCAO-MO calculations on α-D-glucopyranose, β-D-fructopyranose, and their thiopyranoid-ring analogues. Application to a theory of sweetness Journal of the Chemical Society, Chemical Communications. 937-939. DOI: 10.1039/C39870000937 |
0.329 |
|
| 1987 |
Jain AK, Tripathi AN, Smith VH, Thakkar AJ. Scattering of fast electrons and X-rays from CO2 molecules International Journal of Quantum Chemistry. 32: 217-227. DOI: 10.1002/Qua.560320724 |
0.55 |
|
| 1987 |
Robertson DD, Smith VH, Thakkar AJ. More on basis set quality tests International Journal of Quantum Chemistry. 32: 427-434. DOI: 10.1002/Qua.560320403 |
0.526 |
|
| 1986 |
Smith AD, Coplan MA, Chornay DJ, Moore JH, Tossell JA, Mrozek J, Smith VH, Chant NS. Distortion effects in the (e,2e) spectroscopy of helium at high momentum Journal of Physics B: Atomic and Molecular Physics. 19: 969-980. DOI: 10.1088/0022-3700/19/6/015 |
0.31 |
|
| 1986 |
Cameron AD, Smith VH, Baird MC. On the mechanism of activation of coordinated olefins toward nucleophilic attack International Journal of Quantum Chemistry. 30: 657-663. DOI: 10.1002/Qua.560300758 |
0.32 |
|
| 1986 |
Robertson DD, Smith VH, Simas AM, Thakkar AJ. The quality ofs-orbitals determined by least-squares fitting and constrained variational methods International Journal of Quantum Chemistry. 30: 717-735. DOI: 10.1002/Qua.560300602 |
0.712 |
|
| 1986 |
Kumar M, Tripathi AN, Smith VH. Scattering of high-energy electrons and x-rays from molecules: The 10-electon series Ne, HF, H2O, NH3, and Ch4 International Journal of Quantum Chemistry. 29: 1339-1349. DOI: 10.1002/Qua.560290529 |
0.358 |
|
| 1985 |
Liu JW, Smith VH. Effect of ground-state electron correlation on the (e,2e) reaction spectroscopy of H2( 1 Sigma g+). Physical Review. a, General Physics. 31: 3003-3011. PMID 9895856 DOI: 10.1103/Physreva.31.3003 |
0.309 |
|
| 1985 |
Westgate WM, Simas AM, Smith VH. The nonmonotonic behavior of and the presence of slow and fast maxima in the momentum densities of atoms and ions The Journal of Chemical Physics. 83: 4054-4058. DOI: 10.1063/1.449069 |
0.632 |
|
| 1985 |
Simas AM, Smith VH, Thakkar AJ. A momentum density analysis of strong hydrogen bonding Journal of Molecular Structure: Theochem. 123: 221-229. DOI: 10.1016/0166-1280(85)80166-4 |
0.717 |
|
| 1984 |
Simas AM, Mrozek J, Smith VH. Evaluation of Computer Hardware and Software for Scientific Calculations Praxis Der Informationsverarbeitung Und Kommunikation. 7: 230-252. DOI: 10.1515/Piko.1.1984.7.4.230 |
0.559 |
|
| 1984 |
Thakkar AJ, Tripathi AN, Smith VH. Molecular x-ray- and electron-scattering intensities Physical Review A. 29: 1108-1113. DOI: 10.1103/Physreva.29.1108 |
0.556 |
|
| 1984 |
Thakkar AJ, Simas AM, Smith VH. Partial wave analysis of the momentum density The Journal of Chemical Physics. 81: 2953-2961. DOI: 10.1063/1.448045 |
0.688 |
|
| 1984 |
Simas AM, Smith VH. Relativistic integrals over Breit–Pauli operators The Journal of Chemical Physics. 81: 5219-5221. DOI: 10.1063/1.447475 |
0.586 |
|
| 1984 |
Simas AM, Westgate WM, Smith VH. The shell structure of atoms and ions in momentum space The Journal of Chemical Physics. 80: 2636-2642. DOI: 10.1063/1.447057 |
0.653 |
|
| 1984 |
Kaspar J, Smith VH. Rydberg transitions in the ammonium radical: Scattered-wave local-spin-density calculations Chemical Physics. 90: 47-53. DOI: 10.1016/0301-0104(84)85080-6 |
0.346 |
|
| 1984 |
Simas AM, Mrozek J, Smith VH. Appraisal of computer hardware and software for quantum‐chemical calculations International Journal of Quantum Chemistry. 26: 619-638. DOI: 10.1002/Qua.560260855 |
0.558 |
|
| 1984 |
Simas AM, Smith VH, Thakkar AJ. Partial-wave analysis of the momentum densities of 14 electron diatomics International Journal of Quantum Chemistry. 26: 385-392. DOI: 10.1002/Qua.560260836 |
0.712 |
|
| 1984 |
Thakkar AJ, Tripathi AN, Smith VH. Anisotropic electronic intracule densities for diatomics International Journal of Quantum Chemistry. 26: 157-166. DOI: 10.1002/Qua.560260202 |
0.578 |
|
| 1984 |
Simas AM, Smith VH, Kaijser P. The nodal structure of the momentum distributions of molecules International Journal of Quantum Chemistry. 25: 1035-1044. DOI: 10.1002/Qua.560250608 |
0.6 |
|
| 1983 |
Simas AM, Thakkar AJ, Smith VH. Basis set quality. II. Information theoretic appraisal of variouss- orbitals International Journal of Quantum Chemistry. 24: 527-550. DOI: 10.1002/Qua.560240603 |
0.706 |
|
| 1983 |
Harmalkar A, Simas AM, Smith VH, Westgate WM. Momentum space properties of atoms International Journal of Quantum Chemistry. 23: 811-820. DOI: 10.1002/Qua.560230305 |
0.625 |
|
| 1982 |
McMaster BN, Smith VH, Salahub DR. SCF-Xα-SW electron densities with the overlapping sphere approximation Molecular Physics. 46: 449-463. DOI: 10.1080/00268978200101321 |
0.421 |
|
| 1982 |
Foti AE, Smith VH, Whitehead M. Bonding in titanium chloride TiCl4 Molecular Physics. 45: 385-396. DOI: 10.1080/00268978200100311 |
0.332 |
|
| 1982 |
McMaster BN, Mrozek J, Smith VH. An AB initio molecular orbital study of the ammonium radical Chemical Physics. 73: 131-143. DOI: 10.1016/0301-0104(82)85155-0 |
0.32 |
|
| 1982 |
Simas AM, Thakkar AJ, Smith VH. Momentum space properties of various orbital basis sets used in quantum chemical calculations International Journal of Quantum Chemistry. 21: 419-429. DOI: 10.1002/Qua.560210207 |
0.633 |
|
| 1981 |
Thakkar AJ, Smith VH. Statistical electron correlation coefficients for the five lowest states of the heliumlike ions Physical Review A. 23: 473-478. DOI: 10.1103/Physreva.23.473 |
0.575 |
|
| 1981 |
Thakkar AJ, Simas AM, Smith VH. Internally folded densities Chemical Physics. 63: 175-183. DOI: 10.1016/0301-0104(81)80319-9 |
0.709 |
|
| 1981 |
Migdall J, Coplan M, Hench D, Moore J, Tossell J, Smith V, Liu J. The electron momentum distribution of molecular hydrogen Chemical Physics. 57: 141-146. DOI: 10.1016/0301-0104(81)80028-6 |
0.342 |
|
| 1980 |
Thakkar AJ, Simas AM, Smith VH. Extraction of momentum expectation values from Compton profiles Molecular Physics. 41: 1153-1162. DOI: 10.1080/00268978000103851 |
0.673 |
|
| 1980 |
Kaijser P, Smith VH, Thakkar AJ. Isotropic and directional compton profiles for N2, CO and BF Molecular Physics. 41: 1143-1151. DOI: 10.1080/00268978000103841 |
0.546 |
|
| 1980 |
Mrozek J, Smith VH, Salahub DR, Ros P, Rozendaal A. Electron density in Si2and Cl2 Molecular Physics. 41: 509-517. DOI: 10.1080/00268978000102951 |
0.404 |
|
| 1980 |
Smith VH, Thakkar AJ, Henneker WH, Liu JW, Liu B, Brown RE. Erratum: Accurate Compton profiles for H2 and D2 including the effects of electron correlation and molecular vibration and rotation [J. Chem. Phys. 67, 3676 (1977)] The Journal of Chemical Physics. 73: 4150-4150. DOI: 10.1063/1.440771 |
0.525 |
|
| 1980 |
Scheire L, Phariseau P, Nuyts R, Foti A, Smith V. On the electronic structure of the xenon fluorides Physica a: Statistical Mechanics and Its Applications. 101: 22-48. DOI: 10.1016/0378-4371(80)90098-9 |
0.36 |
|
| 1979 |
Janis WJ, Kaijser P, Sabin JR, Smith VH. The influence of polarization functions on the directional Molecular Physics. 37: 463-472. DOI: 10.1080/00268977900100391 |
0.312 |
|
| 1978 |
Thakkar AJ, Smith VH. N-electron zero-momentum energy expression: A criterion for assessing the accuracy of approximate wave functions Physical Review A. 18: 841-844. DOI: 10.1103/Physreva.18.841 |
0.545 |
|
| 1978 |
Thakkar AJ, Smith VH. Form factors and total scattering intensities for the helium-like ions from explicitly correlated wavefunctions Journal of Physics B: Atomic and Molecular Physics. 11: 3803-3820. DOI: 10.1088/0022-3700/11/22/009 |
0.534 |
|
| 1978 |
Janis WJ, Kaijser P, Smith VH, Whangbo M. Directional Compton profiles, the J(0) surface, and scattering factors for benzene Molecular Physics. 35: 1237-1245. DOI: 10.1080/00268977800100931 |
0.34 |
|
| 1978 |
Foti AE, Smith VH, Kishner S, Gopinathan M, Whitehead M. Comparison of SCF-Xα-SW and CNDO/BW calculations on S4N4H4and F4S4N4 Molecular Physics. 35: 111-127. DOI: 10.1080/00268977800100081 |
0.393 |
|
| 1978 |
Foti AE, Smith VH, Salahub DR. Explanation for the structural differences of S2+4, S04 and S2−4 Chemical Physics Letters. 57: 33-36. DOI: 10.1016/0009-2614(78)80345-5 |
0.328 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. III. Radially correlated wave functions for the ground state of the lithium atom Physical Review A. 15: 2143-2146. DOI: 10.1103/Physreva.15.2143 |
0.547 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. II. the 2S1, 2S3, 2P1, and 2P3 states of the helium-like ions from He through Mg10+ Physical Review A. 15: 16-22. DOI: 10.1103/Physreva.15.16 |
0.55 |
|
| 1977 |
Thakkar AJ, Smith VH. Compact and accurate integral-transform wave functions. I. the 1S1 state of the helium-like ions from H- through Mg10+ Physical Review A. 15: 1-15. DOI: 10.1103/Physreva.15.1 |
0.59 |
|
| 1977 |
Brown RE, Smith VH. Compton profiles of the first-row atoms first-order profiles and correlation effects Molecular Physics. 34: 713-729. DOI: 10.1080/00268977700102051 |
0.376 |
|
| 1977 |
Thakkar AJ, Smith VH. A suggestion concerning modification of the n(R) —6 potentialmodel Molecular Physics. 34: 597-599. DOI: 10.1080/00268977700101961 |
0.477 |
|
| 1977 |
Smith VH, Thakkar AJ, Henneker WH, Liu JW, Liu B, Brown RE. Accurate Compton profiles for H2 and D2 including the effects of electron correlation and molecular vibration and rotation The Journal of Chemical Physics. 67: 3676-3682. DOI: 10.1063/1.435307 |
0.591 |
|
| 1977 |
Thakkar AJ, Smith VH. Accurate charge densities and two-electron intracule functions for the heliumlike ions The Journal of Chemical Physics. 67: 1191. DOI: 10.1063/1.434974 |
0.569 |
|
| 1977 |
Kaijser P, Smith VH. Evaluation of Momentum Distributions and Compton Profiles for Atomic and Molecular Systems Advances in Quantum Chemistry. 10: 37-76. DOI: 10.1016/S0065-3276(08)60578-X |
0.409 |
|
| 1977 |
Liu J, Smith VH. A critical study of high energy electron scattering from H2 Chemical Physics Letters. 45: 59-63. DOI: 10.1016/0009-2614(77)85209-3 |
0.349 |
|
| 1977 |
Smith VH, Price PF, Absar I. XVI. Representations of the Electron Density and its Topographical Features Israel Journal of Chemistry. 16: 187-197. DOI: 10.1002/Ijch.197700032 |
0.343 |
|
| 1976 |
Thakkar AJ, Smith VH. The electron—electron cusp condition for the spherical average of the intracule matrix Chemical Physics Letters. 42: 476-481. DOI: 10.1016/0009-2614(76)80657-4 |
0.504 |
|
| 1975 |
Smith VH, Thakkar AJ, Chapman DC. A new analytic approximation to atomic incoherent X-ray scattering intensities Acta Crystallographica Section A. 31: 391-392. DOI: 10.1107/S056773947500085X |
0.556 |
|
| 1975 |
Colpa JP, Thakkar AJ, Smith VH, Randle P. An analysis of energy differences in atomic multiplets in connection with the inequality formulation of hund’s rules. I. Frozen versus relaxed SCF orbitals and energies Molecular Physics. 29: 1861-1875. DOI: 10.1080/00268977500101631 |
0.573 |
|
| 1975 |
Thakkar AJ, Smith VH. Analytic approximations to the vibrational eigenvalues of the st potential Molecular Physics. 29: 1283-1285. DOI: 10.1080/00268977500101101 |
0.488 |
|
| 1975 |
Thakkar AJ, Smith VH. Molecular interactions in nitrogen and oxygen Molecular Physics. 29: 731-744. DOI: 10.1080/00268977500100661 |
0.552 |
|
| 1975 |
Thakkar AJ, Smith VH. Ring and other contributions to the higher virial coefficients Computer Physics Communications. 10: 80-85. DOI: 10.1016/0010-4655(75)90074-0 |
0.535 |
|
| 1975 |
Thakkar AJ, Smith VH. A strategy for the numerical evaluation of Fourier sine and cosine transforms to controlled accuracy Computer Physics Communications. 10: 73-79. DOI: 10.1016/0010-4655(75)90073-9 |
0.491 |
|
| 1975 |
Liu J, Smith V. Elastic and inelastic scattering intensities for electrons from H2+ in the first Born approximation Chemical Physics Letters. 30: 63-68. DOI: 10.1016/0009-2614(75)85499-6 |
0.304 |
|
| 1975 |
Bernardi F, Csizmadia IG, Smith VH, Whangbo MH, Wolfe S. A relationship between correlation energies and sizes: The helium-like ions Theoretica Chimica Acta. 37: 171-176. DOI: 10.1007/Bf00549567 |
0.501 |
|
| 1974 |
Thakkar AJ, Smith VH. On a representation of the long-range interatomic interaction potential Journal of Physics B: Atomic and Molecular Physics. 7: L321-L325. DOI: 10.1088/0022-3700/7/10/004 |
0.539 |
|
| 1974 |
Thakkar AJ, Smith VH. Atomic interactions in neon and helium Molecular Physics. 27: 593-604. DOI: 10.1080/00268977400100511 |
0.553 |
|
| 1974 |
Thakkar AJ, Smith VH. Atomic interactions in the heavy noble gases Molecular Physics. 27: 191-208. DOI: 10.1080/00268977400100161 |
0.56 |
|
| 1974 |
Smith VH, Whangbo MH. Localized molecular orbital studies in momentum space. I. compton profiles of 1s core electrons and hydrocarbons Chemical Physics. 5: 234-243. DOI: 10.1016/0009-2614(74)90270-X |
0.334 |
|
| 1974 |
Thakkar AJ, Smith VH. Mist: A New Interatomic Potential Function Chemical Physics Letters. 24: 157-161. DOI: 10.1016/0009-2614(74)85423-0 |
0.533 |
|
| 1973 |
Smith VH, Brown RE, Thakkar AJ. Natural Analysis of theS2andP2States of the Lithiumlike Ions Physical Review A. 7: 1192-1195. DOI: 10.1103/Physreva.7.1192 |
0.467 |
|
| 1973 |
Smith VH, Brown RE. Electron correlation and the compton profile of atomic neon Chemical Physics Letters. 20: 424-428. DOI: 10.1016/0009-2614(73)85189-9 |
0.382 |
|
| 1973 |
Smith VH, Thakkar AJ. Fourier transform of the Morse-V
DD potential Journal of Low Temperature Physics. 13: 331-335. DOI: 10.1007/Bf00654071 |
0.485 |
|
| 1972 |
Larsson S, Brown RE, Smith VH. Correlation effects on hyperfine-structure expectation values for atoms with open 2p subshells Physical Review A. 6: 1375-1391. DOI: 10.1103/Physreva.6.1375 |
0.37 |
|
| 1972 |
Benesch R, Smith VH. Radial momentum distributions I0(p) and compton profiles J(q). The S1 Be atom ground state Physical Review A. 5: 114-125. DOI: 10.1103/Physreva.5.114 |
0.377 |
|
| 1972 |
Smith VH, Thakkar AJ. Examination of a new intermolecular potential function Chemical Physics Letters. 17: 274-276. DOI: 10.1016/0009-2614(72)87072-6 |
0.525 |
|
| 1971 |
Benesch R, Smith VH. Radial Electron–Electron Distributions and the Coulomb Hole for Be The Journal of Chemical Physics. 55: 482-488. DOI: 10.1063/1.1675777 |
0.302 |
|
| 1971 |
Smith VH. Cusp conditions for natural functions Chemical Physics Letters. 9: 365-368. DOI: 10.1016/0009-2614(71)80244-0 |
0.346 |
|
| 1971 |
Smith VH. Asymptotic behaviour of incoherent scattering functions Chemical Physics Letters. 11: 152. DOI: 10.1016/0009-2614(70)80295-0 |
0.31 |
|
| 1970 |
Stukel DJ, Euwema RN, Collins TC, Smith VH. Exchange study of atomic krypton and tetrahedral semiconductors Physical Review B. 1: 779-790. DOI: 10.1103/Physrevb.1.779 |
0.354 |
|
| 1970 |
Benesch R, Smith VH. Scattering factors for atomic lithium from correlated and independent particle model wavefunctions The Journal of Chemical Physics. 53: 1470-1474. DOI: 10.1063/1.1674197 |
0.35 |
|
| 1970 |
Benesch R, Smith VH. Radial momentum distributions for the 2S ground state of the lithium atom Chemical Physics Letters. 5: 601-604. DOI: 10.1016/0009-2614(70)85058-8 |
0.356 |
|
| 1968 |
Smith VH, Kutzelnigg W. Open- and closed-shell states in few-particle quantum mechanics. II. Classification of atomic states International Journal of Quantum Chemistry. 2: 553-562. DOI: 10.1002/Qua.560020411 |
0.496 |
|
| 1968 |
Kutzelnigg W, Smith VH. Open- and closed-shell states in few-particle quantum mechanics. I. Definitions International Journal of Quantum Chemistry. 2: 531-552. DOI: 10.1002/Qua.560020410 |
0.466 |
|
| 1965 |
Kutzelnigg W, Smith VH. Lower Bounds for the Eigenvalues of First‐Order Density Matrices The Journal of Chemical Physics. 42: 2791-2795. DOI: 10.1063/1.1703239 |
0.577 |
|
| 1964 |
Kutzelnigg W, Smith VH. On Different Criteria for the Best Independent‐Particle Model Approximation The Journal of Chemical Physics. 41: 896-897. DOI: 10.1063/1.1725981 |
0.509 |
|
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