| Year |
Citation |
Score |
| 2017 |
Ball CJ, Loos PF, Gill PM. Molecular electronic structure in one-dimensional Coulomb systems. Physical Chemistry Chemical Physics : Pccp. PMID 28106179 DOI: 10.1039/C6Cp06801D |
0.308 |
|
| 2016 |
Barca GM, Gill PM. Two-electron integrals over Gaussian geminals. Journal of Chemical Theory and Computation. PMID 27598837 DOI: 10.1021/Acs.Jctc.6B00770 |
0.349 |
|
| 2016 |
Barca GM, Loos PF, Gill PM. Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals. Journal of Chemical Theory and Computation. PMID 26981747 DOI: 10.1021/Acs.Jctc.6B00130 |
0.397 |
|
| 2015 |
Deng J, Gilbert AT, Gill PM. MP2[V] - A Simple Approximation to Second-Order Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation. 11: 1639-44. PMID 26574373 DOI: 10.1021/Acs.Jctc.5B00147 |
0.378 |
|
| 2015 |
Loos PF, Bloomfield NJ, Gill PM. Communication: Three-electron coalescence points in two and three dimensions. The Journal of Chemical Physics. 143: 181101. PMID 26567635 DOI: 10.1063/1.4935374 |
0.335 |
|
| 2015 |
Agboola D, Knol AL, Gill PM, Loos PF. Uniform electron gases. III. Low-density gases on three-dimensional spheres. The Journal of Chemical Physics. 143: 084114. PMID 26328825 DOI: 10.1063/1.4929353 |
0.386 |
|
| 2015 |
Loos PF, Ball CJ, Gill PM. Chemistry in one dimension. Physical Chemistry Chemical Physics : Pccp. 17: 3196-206. PMID 25518906 DOI: 10.1039/C4Cp03571B |
0.368 |
|
| 2014 |
Chan B, Gilbert AT, Gill PM, Radom L. Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals. Journal of Chemical Theory and Computation. 10: 3777-83. PMID 26588522 DOI: 10.1021/Ct500506T |
0.492 |
|
| 2014 |
McKemmish LK, Gilbert AT, Gill PM. Mixed Ramp-Gaussian Basis Sets. Journal of Chemical Theory and Computation. 10: 4369-76. PMID 26588134 DOI: 10.1021/Ct500615M |
0.367 |
|
| 2014 |
Gill PM, Loos PF, Agboola D. Basis functions for electronic structure calculations on spheres. The Journal of Chemical Physics. 141: 244102. PMID 25554128 DOI: 10.1063/1.4903984 |
0.38 |
|
| 2014 |
Barca GM, Gilbert AT, Gill PM. Communication: Hartree-Fock description of excited states of H₂. The Journal of Chemical Physics. 141: 111104. PMID 25240338 DOI: 10.1063/1.4896182 |
0.309 |
|
| 2014 |
Loos PF, Ball CJ, Gill PM. Uniform electron gases. II. The generalized local density approximation in one dimension. The Journal of Chemical Physics. 140: 18A524. PMID 24832332 DOI: 10.1063/1.4867910 |
0.379 |
|
| 2013 |
Limpanuparb T, Milthorpe J, Rendell AP, Gill PM. Resolutions of the Coulomb Operator: VII. Evaluation of Long-Range Coulomb and Exchange Matrices. Journal of Chemical Theory and Computation. 9: 863-7. PMID 26588729 DOI: 10.1021/Ct301110Y |
0.744 |
|
| 2012 |
Chan B, Gill PM, Radom L. Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient Correction. Journal of Chemical Theory and Computation. 8: 4899-906. PMID 26593183 DOI: 10.1021/Ct300603D |
0.486 |
|
| 2012 |
McKemmish LK, Gill PM. Gaussian Expansions of Orbitals. Journal of Chemical Theory and Computation. 8: 4891-8. PMID 26593182 DOI: 10.1021/Ct300559T |
0.343 |
|
| 2012 |
Loos PF, Gill PM. Exact wave functions of two-electron quantum rings. Physical Review Letters. 108: 083002. PMID 22463526 DOI: 10.1103/Physrevlett.108.083002 |
0.301 |
|
| 2012 |
Limpanuparb T, Hollett JW, Gill PM. Resolutions of the Coulomb operator. VI. Computation of auxiliary integrals. The Journal of Chemical Physics. 136: 104102. PMID 22423823 DOI: 10.1063/1.3691829 |
0.685 |
|
| 2011 |
Limpanuparb T, Gill PM. Resolutions of the Coulomb Operator: V. The Long-Range Ewald Operator. Journal of Chemical Theory and Computation. 7: 2353-2357. PMID 26606610 DOI: 10.1021/Ct200305N |
0.679 |
|
| 2011 |
Limpanuparb T, Gilbert AT, Gill PM. Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution. Journal of Chemical Theory and Computation. 7: 830-833. PMID 26606335 DOI: 10.1021/Ct200115T |
0.683 |
|
| 2011 |
Deng J, Gilbert AT, Gill PM. Communication: efficient counterpoise corrections by a perturbative approach. The Journal of Chemical Physics. 135: 081105. PMID 21895151 DOI: 10.1063/1.3632054 |
0.373 |
|
| 2011 |
Hollett JW, McKemmish LK, Gill PM. The nature of electron correlation in a dissociating bond. The Journal of Chemical Physics. 134: 224103. PMID 21682503 DOI: 10.1063/1.3599937 |
0.351 |
|
| 2011 |
Hollett JW, Gill PM. The two faces of static correlation. The Journal of Chemical Physics. 134: 114111. PMID 21428611 DOI: 10.1063/1.3570574 |
0.326 |
|
| 2011 |
Deng J, Gill PM. Communication: A new approach to dual-basis second-order Møller-Plesset calculations. The Journal of Chemical Physics. 134: 081103. PMID 21361520 DOI: 10.1063/1.3556705 |
0.357 |
|
| 2011 |
Hollett JW, Gill PM. Intracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space. Physical Chemistry Chemical Physics : Pccp. 13: 2972-8. PMID 21170440 DOI: 10.1039/C0Cp02154G |
0.3 |
|
| 2010 |
Bernard YA, Crittenden DL, Gill PM. Distribution of r·p in atomic systems. The Journal of Physical Chemistry. A. 114: 11984-91. PMID 20945831 DOI: 10.1021/Jp107658A |
0.355 |
|
| 2010 |
Loos PF, Gill PM. Invariance of the correlation energy at high density and large dimension in two-electron systems. Physical Review Letters. 105: 113001. PMID 20867567 DOI: 10.1103/Physrevlett.105.113001 |
0.342 |
|
| 2010 |
Deng J, Gilbert AT, Gill PM. Hartree-Fock perturbative corrections for total and reaction energies. The Journal of Chemical Physics. 133: 044116. PMID 20687642 DOI: 10.1063/1.3463800 |
0.337 |
|
| 2010 |
Deng J, Gilbert AT, Gill PM. Density functional triple jumping. Physical Chemistry Chemical Physics : Pccp. 12: 10759-65. PMID 20614077 DOI: 10.1039/C0Cp00242A |
0.393 |
|
| 2010 |
Loos PF, Gill PM. Correlation energy of two electrons in a ball. The Journal of Chemical Physics. 132: 234111. PMID 20572693 DOI: 10.1063/1.3455706 |
0.372 |
|
| 2009 |
Loos PF, Gill PM. Correlation energy of two electrons in the high-density limit. The Journal of Chemical Physics. 131: 241101. PMID 20059043 DOI: 10.1063/1.3275519 |
0.318 |
|
| 2009 |
Limpanuparb T, Gill PM. Resolutions of the Coulomb operator. Part III. Reduced-rank Schrödinger equations. Physical Chemistry Chemical Physics : Pccp. 11: 9176-81. PMID 19812838 DOI: 10.1039/B910613H |
0.684 |
|
| 2009 |
Loos PF, Gill PM. Two electrons on a hypersphere: a quasiexactly solvable model. Physical Review Letters. 103: 123008. PMID 19792435 DOI: 10.1103/Physrevlett.103.123008 |
0.335 |
|
| 2009 |
Deng J, Gilbert AT, Gill PM. Approaching the Hartree-Fock limit by perturbative methods. The Journal of Chemical Physics. 130: 231101. PMID 19548700 DOI: 10.1063/1.3152864 |
0.367 |
|
| 2009 |
Pearson JK, Crittenden DL, Gill PM. Intracule functional models. IV. Basis set effects. The Journal of Chemical Physics. 130: 164110. PMID 19405564 DOI: 10.1063/1.3122422 |
0.536 |
|
| 2009 |
Besley NA, Gilbert AT, Gill PM. Self-consistent-field calculations of core excited states. The Journal of Chemical Physics. 130: 124308. PMID 19334831 DOI: 10.1063/1.3092928 |
0.351 |
|
| 2009 |
Brittain DR, Lin CY, Gilbert AT, Izgorodina EI, Gill PM, Coote ML. The role of exchange in systematic DFT errors for some organic reactions. Physical Chemistry Chemical Physics : Pccp. 11: 1138-42. PMID 19209354 DOI: 10.1039/B818412G |
0.517 |
|
| 2008 |
Varganov SA, Gilbert AT, Gill PM. A generalized Poisson equation and short-range self-interaction energies. The Journal of Chemical Physics. 128: 241101. PMID 18601308 DOI: 10.1063/1.2945298 |
0.315 |
|
| 2008 |
Varganov SA, Gilbert AT, Deplazes E, Gill PM. Resolutions of the Coulomb operator. The Journal of Chemical Physics. 128: 201104. PMID 18513003 DOI: 10.1063/1.2939239 |
0.343 |
|
| 2007 |
Crittenden DL, Dumont EE, Gill PM. Intracule functional models. II. Analytically integrable kernels. The Journal of Chemical Physics. 127: 141103. PMID 17935377 DOI: 10.1063/1.2795694 |
0.345 |
|
| 2007 |
Dumont EE, Crittenden DL, Gill PM. Intracule functional models: I. Angle-corrected correlation kernels. Physical Chemistry Chemical Physics : Pccp. 9: 5340-3. PMID 17914470 DOI: 10.1039/B709513A |
0.343 |
|
| 2007 |
Crittenden DL, Gill PM. Computation and interpretation of molecular Omega intracules. The Journal of Chemical Physics. 127: 014101. PMID 17627331 DOI: 10.1063/1.2746028 |
0.333 |
|
| 2007 |
Woodcock HL, Hodoscek M, Gilbert AT, Gill PM, Schaefer HF, Brooks BR. Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. Journal of Computational Chemistry. 28: 1485-502. PMID 17334987 DOI: 10.1002/Jcc.20587 |
0.374 |
|
| 2006 |
Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, ... ... Gill PM, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/B517914A |
0.385 |
|
| 2006 |
Chien SH, Gill PM. SG-0: a small standard grid for DFT quadrature on large systems. Journal of Computational Chemistry. 27: 730-9. PMID 16518882 DOI: 10.1002/Jcc.20383 |
0.377 |
|
| 2006 |
Gill PM, Crittenden DL, O'Neill DP, Besley NA. A family of intracules, a conjecture and the electron correlation problem. Physical Chemistry Chemical Physics : Pccp. 8: 15-25. PMID 16482241 DOI: 10.1039/B511472A |
0.402 |
|
| 2005 |
Gill PM, Gilbert AT, Taylor SW, Friesecke G, Head-Gordon M. Decay behavior of least-squares coefficients in auxiliary basis expansions. The Journal of Chemical Physics. 123: 61101. PMID 16122285 DOI: 10.1063/1.2000867 |
0.337 |
|
| 2005 |
Ghosh S, Gill PM. Finite jellium models. I. Restricted Hartree-Fock calculations. The Journal of Chemical Physics. 122: 154108. PMID 15945626 DOI: 10.1063/1.1873552 |
0.381 |
|
| 2004 |
Gilbert AT, Gill PM, Taylor SW. Extracting atoms from molecular electron densities via integral equations. The Journal of Chemical Physics. 120: 7887-93. PMID 15267703 DOI: 10.1063/1.1691401 |
0.352 |
|
| 2003 |
Gill PM, Chien SH. Radial quadrature for multiexponential integrands. Journal of Computational Chemistry. 24: 732-40. PMID 12666165 DOI: 10.1002/Jcc.10211 |
0.306 |
|
| 2000 |
Gill P, Lee A, Nair N, Adamson R. Insights from Coulomb and exchange intracules Journal of Molecular Structure: Theochem. 506: 303-312. DOI: 10.1016/S0166-1280(00)00423-1 |
0.364 |
|
| 2000 |
Gilbert A, Lee A, Gill P. Methods for constructing Stewart atoms Journal of Molecular Structure: Theochem. 500: 363-374. DOI: 10.1016/S0166-1280(00)00386-9 |
0.343 |
|
| 1999 |
Lee AM, Gill PM. Computation of Coulomb and exchange radial intracule densities Chemical Physics Letters. 313: 271-278. DOI: 10.1016/S0009-2614(99)00935-5 |
0.347 |
|
| 1999 |
Gilbert AT, Gill PM. Decomposition of exchange-correlation energies Chemical Physics Letters. 312: 511-521. DOI: 10.1016/S0009-2614(99)00836-2 |
0.369 |
|
| 1998 |
Lee AM, Gill PM. Coulomb energies via Stewart densities Chemical Physics Letters. 286: 226-232. DOI: 10.1016/S0009-2614(98)00122-5 |
0.373 |
|
| 1998 |
Adamson RD, Gill PM, Pople JA. Empirical density functionals Chemical Physics Letters. 284: 6-11. DOI: 10.1016/S0009-2614(97)01282-7 |
0.335 |
|
| 1997 |
Gill PM. A new expansion of the Coulomb interaction Chemical Physics Letters. 270: 193-195. DOI: 10.1016/S0009-2614(97)00361-8 |
0.336 |
|
| 1996 |
Gill PM, Adamson RD. A family of attenuated Coulomb operators Chemical Physics Letters. 261: 105-110. DOI: 10.1016/0009-2614(96)00931-1 |
0.36 |
|
| 1996 |
Adamson RD, Dombroski JP, Gill PM. Chemistry without Coulomb tails Chemical Physics Letters. 254: 329-336. DOI: 10.1016/0009-2614(96)00280-1 |
0.326 |
|
| 1996 |
White CA, Johnson BG, Gill PM, Head-Gordon M. Linear scaling density functional calculations via the continuous fast multipole method Chemical Physics Letters. 253: 268-278. DOI: 10.1016/0009-2614(96)00175-3 |
0.376 |
|
| 1996 |
White CA, Johnson BG, Gill PM, Head-Gordon M. Comment on “a generalized fast multipole approach for Hartree-Fock and density functional computations” Chemical Physics Letters. 248: 482-483. DOI: 10.1016/0009-2614(95)01351-2 |
0.373 |
|
| 1994 |
White CA, Johnson BG, Gill PM, Head-Gordon M. The continuous fast multipole method Chemical Physics Letters. 230: 8-16. DOI: 10.1016/0009-2614(94)01128-1 |
0.364 |
|
| 1994 |
Johnson BG, Gill PM, Pople JA. A rotationally invariant procedure for density functional calculations Chemical Physics Letters. 220: 377-384. DOI: 10.1016/0009-2614(94)00199-5 |
0.374 |
|
| 1994 |
Johnson BG, Pople JA, Gill PM, Fox DJ. Reply to Comment on “Computing molecular electrostatic potentials with the PRISM algorithm” Chemical Physics Letters. 218: 595-596. DOI: 10.1016/0009-2614(94)00009-3 |
0.337 |
|
| 1994 |
Gill PM, Johnson BG, Pople JA. A simple yet powerful upper bound for Coulomb integrals Chemical Physics Letters. 217: 65-68. DOI: 10.1016/0009-2614(93)E1340-M |
0.557 |
|
| 1993 |
Gill PM, Pople JA. Exact exchange functional for the hydrogen atom. Physical Review. A. 47: 2383-2385. PMID 9909197 DOI: 10.1103/Physreva.47.2383 |
0.606 |
|
| 1993 |
Johnson BG, Gill PM, Pople JA, Fox DJ. Computing molecular electrostatic potentials with the PRISM algorithm Chemical Physics Letters. 206: 239-246. DOI: 10.1016/0009-2614(93)85547-2 |
0.599 |
|
| 1993 |
Johnson BG, Gill PM, Pople J. The efficient transformation of (m0|n0) to (ab|cd) two-electron repulsion integrals Chemical Physics Letters. 206: 229-238. DOI: 10.1016/0009-2614(93)85546-Z |
0.307 |
|
| 1993 |
Frisch MJ, Johnson BG, Gill PM, Fox DJ, Nobes RH. An improved criterion for evaluating the efficiency of two-electron integral algorithms Chemical Physics Letters. 206: 225-228. DOI: 10.1016/0009-2614(93)85545-Y |
0.325 |
|
| 1993 |
Gill PM, Johnson BG, Pople JA. A standard grid for density functional calculations Chemical Physics Letters. 209: 506-512. DOI: 10.1016/0009-2614(93)80125-9 |
0.374 |
|
| 1992 |
Gill PM, Johnson BG, Pople JA, Frisch MJ. The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets Chemical Physics Letters. 197: 499-505. DOI: 10.1016/0009-2614(92)85807-M |
0.629 |
|
| 1992 |
Pople JA, Gill PM, Johnson BG. Kohn—Sham density-functional theory within a finite basis set Chemical Physics Letters. 199: 557-560. DOI: 10.1016/0009-2614(92)85009-Y |
0.363 |
|
| 1991 |
Nobes RH, Moncrieff D, Wong MW, Radom L, Gill PM, Pople JA. The structure and stability of the O2+2 dication: a dramatic failure of Møller—Plesset perturbation theory Chemical Physics Letters. 182: 216-224. DOI: 10.1016/0009-2614(91)80204-B |
0.652 |
|
| 1988 |
Gill PM, Radom L. The ACDCP model for estimating the kinetic energy release and transition structure bond length in the fragmentation of a diatomic dication Chemical Physics Letters. 147: 213-218. DOI: 10.1016/0009-2614(88)85086-3 |
0.478 |
|
| 1987 |
Gill PM, Radom L. A rationalization of unusually late transition structures for dication fragmentations Chemical Physics Letters. 136: 294-298. DOI: 10.1016/0009-2614(87)80254-3 |
0.475 |
|
| 1986 |
Gill PM, Radom L. Deceptive convergence in møller-plesset perturbation energies Chemical Physics Letters. 132: 16-22. DOI: 10.1016/0009-2614(86)80686-8 |
0.49 |
|
| 1985 |
Radom L, Baker J, Gill PM, Nobes RH, Riggs NV. A theoretical approach to molecular conformational analysis Journal of Molecular Structure. 126: 271-290. DOI: 10.1016/0022-2860(85)80120-4 |
0.448 |
|
| Show low-probability matches. |
