| Year |
Citation |
Score |
| 2016 |
Jensen SR, Flå T, Jonsson D, Monstad RS, Ruud K, Frediani L. Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved. Physical Chemistry Chemical Physics : Pccp. PMID 27087397 DOI: 10.1039/C6Cp01294A |
0.743 |
|
| 2015 |
Anelli M, Jonsson D, Fliegl H, Ruud K. The origin dependence of the material constants: the permittivity and the inverse permeability Molecular Physics. 113: 1899-1913. DOI: 10.1080/00268976.2015.1021728 |
0.485 |
|
| 2014 |
Ringholm M, Jonsson D, Bast R, Gao B, Thorvaldsen AJ, Ekström U, Helgaker T, Ruud K. Analytic cubic and quartic force fields using density-functional theory. The Journal of Chemical Physics. 140: 034103. PMID 25669359 DOI: 10.1063/1.4861003 |
0.749 |
|
| 2014 |
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, ... ... Jonsson D, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172 |
0.69 |
|
| 2014 |
Ringholm M, Jonsson D, Ruud K. A general, recursive, and open-ended response code. Journal of Computational Chemistry. 35: 622-33. PMID 24500816 DOI: 10.1002/Jcc.23533 |
0.813 |
|
| 2011 |
Arapiraca AF, Jonsson D, Mohallem JR. Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy. The Journal of Chemical Physics. 135: 244313. PMID 22225162 DOI: 10.1063/1.3671940 |
0.471 |
|
| 2011 |
Shcherbin D, Thorvaldsen AJ, Jonsson D, Ruud K. Gauge-origin independent calculations of Jones birefringence. The Journal of Chemical Physics. 135: 134114. PMID 21992289 DOI: 10.1063/1.3645182 |
0.77 |
|
| 2008 |
Dahle P, Helgaker T, Jonsson D, Taylor PR. Second-order Møller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory. Physical Chemistry Chemical Physics : Pccp. 10: 3377-82. PMID 18535720 DOI: 10.1039/B803577F |
0.673 |
|
| 2008 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Ågren H, Wilson DJD, Helgaker T, Junquera–Hernández JM, Merás AMJSd, Sánchez-Marín J. Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” [J. Chem. Phys. 122, 234314 (2005)]; and “A computational study of some electric and magnetic properties of gaseous BF3 and BCl3” [J. Chem. Phys. 123, 114307 (2005)] Journal of Chemical Physics. 129: 39901. DOI: 10.1063/1.2946699 |
0.611 |
|
| 2007 |
Dahle P, Helgaker T, Jonsson D, Taylor PR. Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics. Physical Chemistry Chemical Physics : Pccp. 9: 3112-26. PMID 17612735 DOI: 10.1039/B616488A |
0.681 |
|
| 2007 |
Dahle P, Helgaker T, Jonsson D, Taylor PR. Explicit electron correlation by a combined use of Gaussian-type orbitals and Gaussian-type geminals Aip Conference Proceedings. 963: 187-190. DOI: 10.1063/1.2836035 |
0.407 |
|
| 2005 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Wilson DJ, Helgaker T, Agren H. Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase. The Journal of Chemical Physics. 122: 234314. PMID 16008448 DOI: 10.1063/1.1935513 |
0.688 |
|
| 2005 |
Jansik B, Sałek P, Jonsson D, Vahtras O, Agren H. Cubic response functions in time-dependent density functional theory. The Journal of Chemical Physics. 122: 54107. PMID 15740310 DOI: 10.1063/1.1811605 |
0.562 |
|
| 2004 |
Cronstrand P, Jansik B, Jonsson D, Luo Y, Agren H. Density functional response theory calculations of three-photon absorption. The Journal of Chemical Physics. 121: 9239-46. PMID 15538844 DOI: 10.1063/1.1804175 |
0.59 |
|
| 2004 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Agren H. Density-functional and electron correlated study of five linear birefringences--Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric--in gaseous benzene. The Journal of Chemical Physics. 121: 8814-30. PMID 15527345 DOI: 10.1063/1.1802771 |
0.628 |
|
| 2004 |
Jansik B, Jonsson D, Sałek P, Agren H. Calculations of static and dynamic polarizabilities of excited states by means of density functional theory. The Journal of Chemical Physics. 121: 7595-600. PMID 15485219 DOI: 10.1063/1.1794635 |
0.585 |
|
| 2004 |
Sylvester-Hvid KO, Mikkelsen KV, Norman P, Jonsson D, Ågren H. Sign Change of Hyperpolarizabilities of Solvated Water, Revised: Effects of Equilibrium and Nonequilibrium Solvation† The Journal of Physical Chemistry A. 108: 8961-8965. DOI: 10.1021/Jp048697O |
0.54 |
|
| 2003 |
Coriani S, Halkier A, Jonsson D, Gauss J, Rizzo A, Christiansen O. On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS Journal of Chemical Physics. 118: 7329-7339. DOI: 10.1063/1.1562198 |
0.406 |
|
| 2003 |
Loboda O, Minaev B, Vahtras O, Schimmelpfennig B, Ågren H, Ruud K, Jonsson D. Ab initio calculations of zero-field splitting parameters in linear polyacenes Chemical Physics. 286: 127-137. DOI: 10.1016/S0301-0104(02)00914-X |
0.615 |
|
| 2001 |
Jonsson D, Norman P, Ågren H, Rizzo A, Coriani S, Ruud K. The Cotton–Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study The Journal of Chemical Physics. 114: 8372-8381. DOI: 10.1063/1.1364678 |
0.592 |
|
| 2001 |
Ruud K, Jonsson D, Taylor PR. The dispersion of the polarizability of C60: A confirmation of recent experimental results through theoretical calculations The Journal of Chemical Physics. 114: 4331-4332. DOI: 10.1063/1.1343899 |
0.536 |
|
| 2001 |
Ruud K, Jonsson D, Taylor PR. The dispersion of the polarizability of C60: A confirmation of recent experimental results through theoretical calculations Journal of Chemical Physics. 114: 4331-4332. DOI: 10.1063/1.1343899 |
0.665 |
|
| 2000 |
Ruud K, Jonsson D, Taylor PR. Vibrational effects on electric and magnetic susceptibilities: Application to the properties of the water molecule Physical Chemistry Chemical Physics. 2: 2161-2171. DOI: 10.1039/B000917M |
0.65 |
|
| 2000 |
Jonsson D, Ruud K, Taylor PR. Parallel calculations of molecular properties Computer Physics Communications. 128: 412-433. DOI: 10.1016/S0010-4655(00)00068-0 |
0.623 |
|
| 1999 |
Sylvester-Hvid KO, Mikkelsen KV, Jonsson D, Norman P, Ågren H. Cubic Optical Response of Molecules in a Nonequilibrium and Equilibrium Solvation Model The Journal of Physical Chemistry A. 103: 8375-8383. DOI: 10.1021/Jp983271T |
0.507 |
|
| 1998 |
Jonsson D, Norman P, Ågren H, Luo Y, Sylvester-Hvid KO, Mikkelsen KV. Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline The Journal of Chemical Physics. 109: 6351-6357. DOI: 10.1063/1.477277 |
0.556 |
|
| 1998 |
Sylvester-Hvid KO, Mikkelsen KV, Jonsson D, Norman P, Ågren H. Nonlinear optical response of molecules in a nonequilibrium solvation model The Journal of Chemical Physics. 109: 5576-5584. DOI: 10.1063/1.477175 |
0.529 |
|
| 1998 |
Jonsson D, Norman P, Ruud K, Ågren H, Helgaker T. Electric and magnetic properties of fullerenes The Journal of Chemical Physics. 109: 572-577. DOI: 10.1063/1.476593 |
0.73 |
|
| 1998 |
Ruud K, Jonsson D, Norman P, Ågren H, Saue T, Jensen HJA, Dahle P, Helgaker T. Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules The Journal of Chemical Physics. 108: 7973-7979. DOI: 10.1063/1.476237 |
0.724 |
|
| 1998 |
Norman P, Luo Y, Jonsson D, Ågren H. Response to “Comment on ‘The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models’ ” [J. Chem. Phys. 108, 4355 (1998)] The Journal of Chemical Physics. 108: 4358-4360. DOI: 10.1063/1.475846 |
0.483 |
|
| 1998 |
Luo Y, Ruud K, Norman P, Jonsson D, Ågren H. Saturation of the Optical Band Gap and Properties of Five-Membered Heteroaromatic Oligomers The Journal of Physical Chemistry B. 102: 1710-1712. DOI: 10.1021/Jp9806056 |
0.608 |
|
| 1998 |
Jonsson D, Luo Y, Ruud K, Norman P, Ågren H. Calculations of circular intensity differences in electric-field-induced second harmonic generation Chemical Physics Letters. 288: 371-376. DOI: 10.1016/S0009-2614(98)00301-7 |
0.64 |
|
| 1998 |
Luo Y, Jonsson D, Norman P, Ruud K, Vahtras O, Minaev B, �gren H, Rizzo A, Mikkelsen KV. Some recent developments of high-order response theory International Journal of Quantum Chemistry. 70: 219-239. DOI: 10.1002/(Sici)1097-461X(1998)70:1<219::Aid-Qua19>3.0.Co;2-9 |
0.552 |
|
| 1997 |
Norman P, Luo Y, Jonsson D, Ågren H, Sylvester-Hvid KO, Mikkelsen KV. Hyperpolarizability depolarization ratios of nitroanilines The Journal of Chemical Physics. 107: 9063-9066. DOI: 10.1063/1.475196 |
0.435 |
|
| 1997 |
Norman P, Luo Y, Jonsson D, Ågren H. Ab initio calculations of the polarizability and the hyperpolarizability of C60 The Journal of Chemical Physics. 106: 8788-8791. DOI: 10.1063/1.473961 |
0.528 |
|
| 1997 |
Jonsson D, Norman P, Vahtras O, Ågren H, Rizzo A. The hypermagnetizability of molecular oxygen The Journal of Chemical Physics. 106: 8552-8563. DOI: 10.1063/1.473910 |
0.584 |
|
| 1997 |
Norman P, Luo Y, Jonsson D, Ågren H. The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models The Journal of Chemical Physics. 106: 1827-1835. DOI: 10.1063/1.473338 |
0.441 |
|
| 1997 |
Jonsson D, Norman P, Ågren H. Single determinant calculations of excited state polarizabilities Chemical Physics. 224: 201-214. DOI: 10.1016/S0301-0104(97)00272-3 |
0.422 |
|
| 1997 |
Norman P, Jonsson D, Ågren H. Excited state properties through cubic response theory: polarizabilities of benzene and naphthalene Chemical Physics Letters. 268: 337-344. DOI: 10.1016/S0009-2614(97)00213-3 |
0.48 |
|
| 1996 |
Luo Y, Norman P, Jonsson D, Agren H. Ground and excited state hyperpolarizabilities of cis trans and diphenyl polyenes Molecular Physics. 89: 1409-1421. DOI: 10.1080/002689796173264 |
0.476 |
|
| 1996 |
Jonsson D, Norman P, Ågren H. Cubic response functions in the multiconfiguration self‐consistent field approximation The Journal of Chemical Physics. 105: 6401-6419. DOI: 10.1063/1.472493 |
0.473 |
|
| 1996 |
Jonsson D, Norman P, Luo Y, Ågren H. Response theory for static and dynamic polarizabilities of excited states The Journal of Chemical Physics. 105: 581-587. DOI: 10.1063/1.471911 |
0.485 |
|
| 1996 |
Norman P, Jonsson D, Vahtras O, Ågren H. Non-linear electric and magnetic properties obtained from cubic response functions in the random phase approximation Chemical Physics. 203: 23-42. DOI: 10.1016/0301-0104(95)00419-X |
0.466 |
|
| 1996 |
Norman P, Jonsson D, Ågren H, Dahle P, Ruud K, Helgaker T, Koch H. Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes Chemical Physics Letters. 253: 1-7. DOI: 10.1016/0009-2614(96)00246-1 |
0.753 |
|
| 1996 |
Jonsson D, Norman P, Vahtras O, Ågren H. Magnetic hyperpolarizabilities in a cubic response formulation Theoretica Chimica Acta. 93: 235-241. DOI: 10.1007/Bf01113419 |
0.491 |
|
| 1995 |
Minaev BF, Jonsson D, Norman P, Ågren H. Character and spectra of triplet states in short polyenes Chemical Physics. 194: 19-31. DOI: 10.1016/0301-0104(95)00007-B |
0.501 |
|
| 1995 |
Minaev B, Norman P, Jonsson D, Ågren H. Response theory calculations of singlet-triplet transitions in molecular nitrogen Chemical Physics. 190: 11-29. DOI: 10.1016/0301-0104(94)00321-Z |
0.53 |
|
| 1995 |
Norman P, Jonsson D, Vahtras O, Ågren H. Cubic response functions in the random phase approximation Chemical Physics Letters. 242: 7-16. DOI: 10.1016/0009-2614(95)00716-H |
0.379 |
|
| 1994 |
Ågren H, Norman P, Jonsson D, Liegener C. On the vibrational and orientational probing of surface-adsorbates by direct and resonance photoemission Surface Science. 311: 375-384. DOI: 10.1016/0039-6028(94)91427-3 |
0.421 |
|
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