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Phillip A. Christiansen - Publications

Affiliations: 
Chemistry & Biomolecular Science Clarkson University, Potsdam, NY, United States 
Area:
computational chemistry
Website:
http://www.clarkson.edu/biosci_chemistry/faculty_pages/christiansen.html
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32 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2004 Moon S, Christiansen PA, DiLabio GA. Quantum capping potentials with point charges: a simple QM/MM approach for the calculation of large-molecule NMR shielding tensors. The Journal of Chemical Physics. 120: 9080-6. PMID 15267843 DOI: 10.1063/1.1689633  0.602
2002 DiLabio GA, Hurley MM, Christiansen PA. Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules Journal of Chemical Physics. 116: 9578-9584. DOI: 10.1063/1.1477182  0.586
2000 Christiansen PA. Basis sets in correlated effective potential calculations Journal of Chemical Physics. 112: 10070-10074. DOI: 10.1063/1.481648  0.423
1998 DiLabio GA, Christiansen PA. Separability of spin-orbit correlation energies for the sixth-row main group hydride ground states Journal of Chemical Physics. 108: 7527-7533. DOI: 10.1063/1.476185  0.582
1997 Wildman SA, DiLabio GA, Christiansen PA. Accurate relativistic effective potentials for the sixth-row main group elements Journal of Chemical Physics. 107: 9975-9979. DOI: 10.1063/1.475301  0.602
1997 DiLabio G, Christiansen P. Low-lying 0+ states of bismuth hydride Chemical Physics Letters. 277: 473-477. DOI: 10.1016/S0009-2614(97)00954-8  0.389
1994 Ross RB, Powers JM, Atashroo T, Ermler WC, LaJohn LA, Christiansen PA. Erratum: Ab initio relativistic effective potentials with spin–orbit operators. IV. Cs through Rn [J. Chem. Phys. 93, 6654 (1990)] The Journal of Chemical Physics. 101: 10198-10198. DOI: 10.1063/1.468517  0.373
1992 Lao M, Christiansen PA. Relativistic effective potential quantum Monte Carlo simulations for Ne Journal of Chemical Physics. 96: 2161-2163. DOI: 10.1063/1.462067  0.333
1991 Ermler WC, Ross RB, Christiansen PA. Ab initio relativistic effective potentials with spin‐orbit operators. VI. Fr through Pu International Journal of Quantum Chemistry. 40: 829-846. DOI: 10.1002/Qua.560400611  0.498
1990 Ross RB, Powers JM, Atashroo T, Ermler WC, LaJohn LA, Christiansen PA. Ab initio relativistic effective potentials with spin-orbit operators. IV. Cs through Rn The Journal of Chemical Physics. 93: 6654-6670. DOI: 10.1063/1.458934  0.512
1988 Walker EC, Christiansen PA, Pacios LF. Orbital partitioning errors in transition metal relativistic effective potentials Molecular Physics. 63: 139-144. DOI: 10.1080/00268978800100111  0.376
1988 Ermler WC, Ross RB, Christiansen PA. Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules Advances in Quantum Chemistry. 19: 139-182. DOI: 10.1016/S0065-3276(08)60615-2  0.52
1988 Christiansen PA, Lajohn LA. Local potential error in quantum Monte Carlo calculations of the Mg ionization potential Chemical Physics Letters. 146: 162-164. DOI: 10.1016/0009-2614(88)85067-X  0.452
1987 LaJohn LA, Christiansen PA, Ross RB, Atashroo T, Ermler WC. Ab initio relativistic effective potentials with spin-orbit operators. III. Rb through Xe The Journal of Chemical Physics. 87: 2812-2824. DOI: 10.1063/1.453069  0.489
1987 Hurley MM, Christiansen PA. Relativistic effective potentials in quantum Monte Carlo calculations The Journal of Chemical Physics. 86: 1069-1070. DOI: 10.1063/1.452294  0.468
1986 Hurley MM, Pacios LF, Christiansen PA, Ross RB, Ermler WC. Ab initio relativistic effective potentials with spin-orbit operators. II. K through Kr The Journal of Chemical Physics. 84: 6840-6853. DOI: 10.1063/1.450689  0.471
1986 Ross RB, Ermler WC, Christiansen PA. Ab initio calculations of spin‐orbit coupling in the Group 13 and 17 atoms The Journal of Chemical Physics. 84: 3297-3300. DOI: 10.1063/1.450261  0.309
1986 Ross RB, Ermler WC, Christiansen PA. Ab initio calculations of spin-orbit coupling in the Group 13 and 17 atoms The Journal of Chemical Physics. 84: 3297-3300. DOI: 10.1063/1.450261  0.482
1986 Christiansen PA. Core-valence correlation in relativistic effective potentials Chemical Physics Letters. 127: 50-54. DOI: 10.1016/S0009-2614(86)80207-X  0.401
1985 Christiansen PA, Ermler WC, Pitzer KS. Relativistic Effects in Chemical Systems Annual Review of Physical Chemistry. 36: 407-432. DOI: 10.1146/Annurev.Pc.36.100185.002203  0.411
1985 Christiansen PA, Ermler WC. Relativistic bond length and atomic orbital contractions Molecular Physics. 55: 1109-1111. DOI: 10.1080/00268978500101921  0.369
1984 Christiansen PA. Relativistic effective potential Cl calculations including spin-orbit coupling for the ground state of Bi2 Chemical Physics Letters. 109: 145-149. DOI: 10.1016/0009-2614(84)85579-7  0.507
1983 Yates JH, Ermler WC, Winter NW, Christiansen PA, Lee YS, Pitzer KS. Ab initio potential energy curves for the low‐lying electronic states of the argon excimer The Journal of Chemical Physics. 79: 6145-6149. DOI: 10.1063/1.445796  0.31
1983 Laskowski BC, Walch SP, Christiansen PA. Ab initio calculation of the X 1Σ+ state of CsH The Journal of Chemical Physics. 78: 6824-6832. DOI: 10.1063/1.444628  0.452
1981 Christiansen PA, Pitzer KS. Electronic structure and dissociation curves for the ground states of Tl2 and Tl2+ from relativistic effective potential calculations The Journal of Chemical Physics. 74: 1162-1165. DOI: 10.1063/1.441223  0.343
1981 Christiansen PA, Pitzer KS. Electronic structure and dissociation curves for the ground states of Tl2 and Tl2 + from relativistic effective potential calculations The Journal of Chemical Physics. 74: 1162-1165. DOI: 10.1063/1.441223  0.427
1981 Ermler WC, Lee YS, Christiansen PA, Pitzer KS. AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctions Chemical Physics Letters. 81: 70-74. DOI: 10.1016/0009-2614(81)85329-8  0.371
1980 Christiansen PA, Pitzer KS. Electronic structure for the ground state of TlH from relativistic multiconfiguration SCF calculations The Journal of Chemical Physics. 73: 5160-5163. DOI: 10.1063/1.439995  0.486
1979 Christiansen PA, Lee YS, Pitzer KS. Improved ab initio effective core potentials for molecular calculations The Journal of Chemical Physics. 71: 4445-4450. DOI: 10.1063/1.438197  0.542
1979 Christiansen PA, Lee YS, Pitzer KS. Improved ab initio effective core potentials for molecular calculations The Journal of Chemical Physics. 71: 4445-4450. DOI: 10.1063/1.438197  0.333
1978 Christiansen PA, McCullough EA. Erratum: Numerical Hartree–Fock calculations for N2, FH, and CO: Comparison with optimized LCAO results The Journal of Chemical Physics. 68: 2021-2021. DOI: 10.1063/1.436331  0.412
1977 Christiansen PA, Palke WE. Effects of exchange energy and orbital orthogonality on barriers to internal rotation The Journal of Chemical Physics. 67: 57-63. DOI: 10.1063/1.434541  0.466
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