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Fromager, Emmanuel, Maron, Laurent, Teichteil, Christian, Heully, Jean-Louis, Faegri, Knut, Dyall, Ken (2004) An analysis of core effects on shape-consistent pseudopotentials. The Journal of Chemical Physics, 121 (18). 8687-8698 doi:10.1063/1.1798976

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Reference TypeJournal (article/letter/editorial)
TitleAn analysis of core effects on shape-consistent pseudopotentials
JournalThe Journal of Chemical Physics
AuthorsFromager, EmmanuelAuthor
Maron, LaurentAuthor
Teichteil, ChristianAuthor
Heully, Jean-LouisAuthor
Faegri, KnutAuthor
Dyall, KenAuthor
Year2004 (November 8)Volume121
Issue18
PublisherAIP Publishing
DOIdoi:10.1063/1.1798976Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2288973Long-form Identifiermindat:1:5:2288973:1
GUID0
Full ReferenceFromager, Emmanuel, Maron, Laurent, Teichteil, Christian, Heully, Jean-Louis, Faegri, Knut, Dyall, Ken (2004) An analysis of core effects on shape-consistent pseudopotentials. The Journal of Chemical Physics, 121 (18). 8687-8698 doi:10.1063/1.1798976
Plain TextFromager, Emmanuel, Maron, Laurent, Teichteil, Christian, Heully, Jean-Louis, Faegri, Knut, Dyall, Ken (2004) An analysis of core effects on shape-consistent pseudopotentials. The Journal of Chemical Physics, 121 (18). 8687-8698 doi:10.1063/1.1798976
In(2004, November) The Journal of Chemical Physics Vol. 121 (18) AIP Publishing

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Maron, Laurent, Teichteil, Christian (1998) On the accuracy of averaged relativistic shape-consistent pseudopotentials. Chemical Physics, 237. 105-122 doi:10.1016/s0301-0104(98)00243-2
Fromager, Emmanuel, Visscher, Lucas, Maron, Laurent, Teichteil, Christian (2005) On the accuracy of one-component pseudopotential spin-orbit calculations. The Journal of Chemical Physics, 123 (16). 164105pp. doi:10.1063/1.2072927
Fromager, Emmanuel, Teichteil, Christian, Maron, Laurent (2005) Atomic spin-orbit pseudopotential definition and its relation to the different relativistic approximations. The Journal of Chemical Physics, 123 (3). 34106pp. doi:10.1063/1.1942467
Maron, Laurent, Leininger, Thierry, Schimmelpfennig, Bernd, Vallet, Valérie, Heully, Jean-Louis, Teichteil, Christian, Gropen, Odd, Wahlgren, Ulf (1999) Investigation of the low-lying excited states of PuO22+. Chemical Physics, 244. 195-201 doi:10.1016/s0301-0104(99)00113-5
Vallet, Valérie, Maron, Laurent, Teichteil, Christian, Flament, Jean-Pierre (2000) A two-step uncontracted determinantal effective Hamiltonian-based SO–CI method. The Journal of Chemical Physics, 113 (4). 1391-1402 doi:10.1063/1.481929
Daudey, Jean‐Pierre, Heully, Jean‐Louis, Malrieu, Jean‐Paul (1993) Size‐consistent self‐consistent truncated or selected configuration interaction. The Journal of Chemical Physics, 99 (2). 1240-1254 doi:10.1063/1.465368
Carissan, Yannick, Heully, Jean-Louis, Guihéry, Nathalie, Alary, Fabienne (2004) A study of the correlation effects upon the modelization of the double exchange phenomenon. The Journal of Chemical Physics, 121 (19). 9453-9460 doi:10.1063/1.1806415
Heully, Jean-Louis, Alary, Fabienne, Boggio-Pasqua, Martial (2009) Spin-orbit effects on the photophysical properties of Ru(bpy)32+. The Journal of Chemical Physics, 131 (18). 184308pp. doi:10.1063/1.3254196
Alary, Fabienne, Heully, Jean-Louis, Poteau, Romuald, Maron, Laurent, Trinquier, Georges, Daudey, Jean-Pierre (2003) Using Effective Group Potential Methodology for Predicting Organometallic Complex Properties. Journal Of The American Chemical Society, 125 (36) 11051-11061 doi:10.1021/ja034534m
Bomont, Jean-Marc, Bretonnet, Jean-Louis (2004) A consistent integral equation theory for hard spheres. The Journal of Chemical Physics, 121 (3). 1548-1552 doi:10.1063/1.1764772
Schimmelpfennig, Bernd, Maron, Laurent, Wahlgren, Ulf, Teichteil, Christian, Fagerli, Hilde, Gropen, Odd (1998) On the efficiency of an effective Hamiltonian in spin-orbit CI calculations. Chemical Physics Letters, 286. 261-266 doi:10.1016/s0009-2614(98)00120-1
 
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