The low-lying electronic states of cerium monoxide CeO: ab initio calculations using energy-adjusted pseudopotentials and spin-orbit operators

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)85223-t ◽

1991 ◽

Vol 231 ◽

pp. 243-255 ◽

Author(s):

Michael Dolg ◽

Hermann Stole ◽

Heinzwerner Preuss

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

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Spin–Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b01366 ◽

2018 ◽

Vol 122 (13) ◽

pp. 3374-3382 ◽

Author(s):

Quoc Tri Tran ◽

Sheng-Jie Lu ◽

Li-Juan Zhao ◽

Xi-Ling Xu ◽

Hong-Guang Xu ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Photoelectron Spectroscopy ◽

Electronic States ◽

Anion Photoelectron Spectroscopy

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Ab initio calculations on the ground and excited electronic states of AsI molecule including spin-orbit coupling

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2020.113136 ◽

2020 ◽

pp. 113136

Author(s):

Huagang Xiao ◽

Shikui Dong ◽

Jun Zhu ◽

Tao Gao

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Excited Electronic States

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ChemInform Abstract: The Low-Lying Electronic States of Cerium Monoxide CeO: Ab initio Calculations Using Energy-Adjusted Pseudopotentials and Spin-Orbit Operators.

10.1002/chin.199139002 ◽

2010 ◽

Vol 22 (39) ◽

pp. no-no

Author(s):

M. DOLG ◽

H. STOLL ◽

H. PREUSS

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

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Ab initio calculations of the lowest 262s+1Λ± electronic states of 90ZrS including spin-orbit coupling

Journal of Quantitative Spectroscopy and Radiative Transfer ◽

10.1016/j.jqsrt.2019.106641 ◽

2019 ◽

Vol 237 ◽

pp. 106641

Author(s):

S. Makhlouf ◽

Z. Adem ◽

F. Taher ◽

S. Magnier

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

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Ab initio calculations on low‐lying electronic states of PdH

International Journal of Quantum Chemistry ◽

10.1002/qua.25967 ◽

2019 ◽

Vol 119 (17) ◽

Author(s):

Fathola A. Nabi ◽

Alireza Shayesteh

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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Ab initio calculations in atoms, molecules, and solids, treating spin–orbit coupling and electron interaction on an equal footing

The Journal of Chemical Physics ◽

10.1063/5.0075900 ◽

2022 ◽

Vol 156 (1) ◽

pp. 014107

Author(s):

Brandon Eskridge ◽

Henry Krakauer ◽

Hao Shi ◽

Shiwei Zhang

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Electron Interaction ◽

Spin Orbit Coupling ◽

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The Jahn-Teller effect and spin-orbit coupling in alkali trimers: Spectroscopic experiments and ab initio calculations

10.1063/1.4771745 ◽

2012 ◽

Author(s):

Andreas Hauser ◽

Carlo Callegari ◽

Wolfgang E. Ernst

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Teller Effect ◽

Spin Orbit Coupling ◽

Jahn Teller ◽

Jahn Teller Effect

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Ab initio calculations on the ground and excited electronic states of KrH

Chemical Physics Letters ◽

10.1016/0009-2614(88)87221-x ◽

1988 ◽

Vol 149 (2) ◽

pp. 196-200 ◽

Author(s):

G. Theodorakopoulos ◽

I.D. Petsalakis

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Excited Electronic States

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Ab initio calculations of molecular properties of low–lying electronic states of 2–cyclopenten–1–one – link with biological activity

Journal of Molecular Modeling ◽

10.1007/s00894-012-1477-1 ◽

2012 ◽

Vol 18 (10) ◽

pp. 4751-4759 ◽

Author(s):

Jana Fišanová ◽

Ivan Černušák ◽

Vladimír Kellö

Keyword(s):

Biological Activity ◽

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States ◽

Molecular Properties

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Electronic states and nature of bonding in the molecule MoC by all electron ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.473887 ◽

1997 ◽

Vol 106 (19) ◽

pp. 8093-8100 ◽

Author(s):

Irene Shim ◽

Karl A. Gingerich

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic States

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