Predicted Landé g-factors for open shell diatomic molecules

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2016.11.004 ◽

2016 ◽

Vol 330 ◽

pp. 57-62 ◽

Cited By ~ 9

Author(s):

Mikhail Semenov ◽

Sergei. N. Yurchenko ◽

Jonathan Tennyson

Keyword(s):

Diatomic Molecules ◽

Open Shell ◽

G Factors

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NON-ADIABATIC CALCULATIONS OF SPECTRA OF OPEN-SHELL DIATOMIC MOLECULES

10.15278/isms.2021.we14 ◽

2021 ◽

Author(s):

Sergei Yurchenko

Keyword(s):

Diatomic Molecules ◽

Open Shell

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CEPA calculations on open-shell molecules. II. Singlet-triplet energy splitting in ?2 configurations of diatomic molecules

Theoretica Chimica Acta ◽

10.1007/bf00554193 ◽

1981 ◽

Vol 59 (5) ◽

pp. 501-515 ◽

Cited By ~ 1

Author(s):

Volker Staemmler ◽

Ralph Jaquet

Keyword(s):

Diatomic Molecules ◽

Open Shell ◽

Energy Splitting ◽

Triplet Energy

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Orientation, alignment, and hyperfine effects on dissociation of diatomic molecules to open shell atoms

The Journal of Chemical Physics ◽

10.1063/1.450217 ◽

1986 ◽

Vol 84 (7) ◽

pp. 3762-3770 ◽

Cited By ~ 24

Author(s):

Yehuda B. Band ◽

Karl F. Freed ◽

Sherwin J. Singer

Keyword(s):

Diatomic Molecules ◽

Open Shell

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Periodic trends in parity-violating hyperfine coupling constants of open-shell diatomic molecules

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2014.01.014 ◽

2014 ◽

Vol 300 ◽

pp. 26-30 ◽

Cited By ~ 6

Author(s):

T.A. Isaev ◽

R. Berger

Keyword(s):

Hyperfine Coupling ◽

Diatomic Molecules ◽

Open Shell ◽

Coupling Constants ◽

Hyperfine Coupling Constants

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CEPA calculations on open-shell molecules. II. Singlet-triplet energy splitting in π2 configurations of diatomic molecules

Theoretica Chimica Acta ◽

10.1007/bf00938692 ◽

1981 ◽

Vol 59 (5) ◽

pp. 501-515 ◽

Cited By ~ 8

Author(s):

Volker Staemmler ◽

Ralph Jaquet

Keyword(s):

Diatomic Molecules ◽

Open Shell ◽

Energy Splitting ◽

Triplet Energy

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Hybrid Coupled Cluster Methods Based on the Split Virtual Orbitals: Barrier Heights of Reactions and Spectroscopic Constants of Open-Shell Diatomic Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp309218q ◽

2013 ◽

Vol 117 (3) ◽

pp. 626-632 ◽

Cited By ~ 2

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Diatomic Molecules ◽

Open Shell ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Barrier Heights ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Virtual Orbitals

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Linear response calculations of electronic g-factors and spin-rotational coupling constants for diatomic molecules with a triplet ground state

Chemical Physics ◽

10.1016/s0301-0104(98)00188-8 ◽

1998 ◽

Vol 237 (1-2) ◽

pp. 149-158 ◽

Cited By ~ 35

Author(s):

Maria Engström ◽

Boris Minaev ◽

Olav Vahtras ◽

Hans Ågren

Keyword(s):

Ground State ◽

Linear Response ◽

Diatomic Molecules ◽

Coupling Constants ◽

Triplet Ground State ◽

Rotational Coupling ◽

G Factors

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The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces

Chemical Physics ◽

10.1016/j.chemphys.2011.10.023 ◽

2012 ◽

Vol 401 ◽

pp. 113-118 ◽

Cited By ~ 3

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Diatomic Molecules ◽

Open Shell ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Bond Breaking ◽

Cluster Approach ◽

Hybrid Treatment ◽

Energy Surfaces

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Comment on ‘‘Orientation, alignment, and hyperfine effects on dissociation of diatomic molecules to open shell atoms’’

The Journal of Chemical Physics ◽

10.1063/1.452211 ◽

1987 ◽

Vol 86 (3) ◽

pp. 1648-1649 ◽

Cited By ~ 8

Author(s):

M. D. Havey ◽

L. L. Vahala

Keyword(s):

Diatomic Molecules ◽

Open Shell

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Electron scattering by closed or open shell diatomic molecules

Computer Physics Communications ◽

10.1016/0010-4655(80)90007-7 ◽

1980 ◽

Vol 20 (2) ◽

pp. 275-289 ◽

Cited By ~ 23

Author(s):

G. Raşeev

Keyword(s):

Electron Scattering ◽

Diatomic Molecules ◽

Open Shell

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