Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering

Junxiang Zuo; Hua Guo

doi:10.1063/5.0026637

Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering

The Journal of Chemical Physics ◽

10.1063/5.0026637 ◽

2020 ◽

Vol 153 (14) ◽

pp. 144306

Author(s):

Junxiang Zuo ◽

Hua Guo

Keyword(s):

Quantum Theory ◽

Inelastic Scattering ◽

Diatomic Molecules ◽

Open Shell

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Quantum theory of elastic and inelastic scattering of atoms by solid surfaces

The Journal of Chemical Physics ◽

10.1063/1.1680267 ◽

1973 ◽

Vol 59 (4) ◽

pp. 1805-1832 ◽

Cited By ~ 53

Author(s):

Frank O. Goodman ◽

Whee‐Keng Tan

Keyword(s):

Quantum Theory ◽

Inelastic Scattering ◽

Solid Surfaces ◽

Elastic And Inelastic Scattering ◽

Scattering Of Atoms

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Quantum phase-space formulation for inelastic scattering of atom–diatomic molecules using the density operator

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9969201669 ◽

1996 ◽

Vol 92 (10) ◽

pp. 1669-1676 ◽

Cited By ~ 4

Author(s):

Qian-Shu Li ◽

Xu-Guang Hu

Keyword(s):

Phase Space ◽

Inelastic Scattering ◽

Density Operator ◽

Diatomic Molecules ◽

Quantum Phase ◽

Space Formulation

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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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Collision induced transitions between2Π and2Σ states of diatomic molecules: Quantum theory and collisional propensity rules

The Journal of Chemical Physics ◽

10.1063/1.450831 ◽

1986 ◽

Vol 84 (1) ◽

pp. 100-113 ◽

Cited By ~ 85

Author(s):

Millard H. Alexander ◽

Gregory C. Corey

Keyword(s):

Quantum Theory ◽

Diatomic Molecules

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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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Quantum theory of atom-surface scattering: Inelastic scattering

Il Nuovo Cimento B ◽

10.1007/bf02904021 ◽

1979 ◽

Vol 54 (2) ◽

pp. 357-393 ◽

Cited By ~ 69

Author(s):

A. C. Levi

Keyword(s):

Quantum Theory ◽

Inelastic Scattering ◽

Surface Scattering

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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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