Interpretation of spectroscopic constants of the asymptotically correct series for energies of rovibrational states of diatomic molecules

Electron scattering on excited diatomic molecules in selected rovibrational states

Journal of Russian Laser Research ◽

10.1007/bf02508569 ◽

2000 ◽

Vol 21 (2) ◽

pp. 182-204 ◽

Cited By ~ 2

Author(s):

S. A. Pozdneev

Keyword(s):

Electron Scattering ◽

Diatomic Molecules ◽

Rovibrational States

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Accuracy of Computed Spectroscopic Constants from Hartree—Fock Wavefunctions for Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1724878 ◽

1964 ◽

Vol 40 (1) ◽

pp. 243-244 ◽

Cited By ~ 19

Author(s):

A. D. McLean

Keyword(s):

Diatomic Molecules ◽

Spectroscopic Constants ◽

Hartree Fock

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Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

Journal of Computational Chemistry ◽

10.1002/jcc.20330 ◽

2005 ◽

Vol 27 (2) ◽

pp. 163-173 ◽

Cited By ~ 11

Author(s):

Chantal T. Falzon ◽

Delano P. Chong ◽

Feng Wang

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Diatomic Molecules ◽

Time Dependent ◽

Spectroscopic Constants ◽

Functional Theory ◽

Dependent Density

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Assignment of the rovibrational states of deformable diatomic molecules described by different effective potentials

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80197-4 ◽

1993 ◽

Vol 297 ◽

pp. 415-423 ◽

Cited By ~ 4

Author(s):

Marcin Molski ◽

Jerzy Konarski

Keyword(s):

Diatomic Molecules ◽

Effective Potentials ◽

Rovibrational States

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Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.1386412 ◽

2001 ◽

Vol 115 (6) ◽

pp. 2439-2448 ◽

Cited By ~ 26

Author(s):

Mutasem Omar Sinnokrot ◽

C. David Sherrill

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diatomic Molecules ◽

Spectroscopic Constants ◽

Functional Theory

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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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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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Spectroscopic constants of diatomic molecules computed correcting Hartree-Fock or general-valence-bond potential-energy curves with correlation-energy functionals

Physical Review A ◽

10.1103/physreva.45.4407 ◽

1992 ◽

Vol 45 (7) ◽

pp. 4407-4420 ◽

Cited By ~ 22

Author(s):

José M. Pérez-Jordá ◽

Emilio San-Fabián ◽

Federico Moscardó

Keyword(s):

Potential Energy ◽

Correlation Energy ◽

Diatomic Molecules ◽

Valence Bond ◽

Potential Energy Curves ◽

Spectroscopic Constants ◽

Energy Functionals ◽

Hartree Fock

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Systematics of spectroscopic constants of homonuclear diatomic molecules

Chemical Physics ◽

10.1016/j.chemphys.2007.10.018 ◽

2007 ◽

Vol 342 (1-3) ◽

pp. 297-308 ◽

Cited By ~ 11

Author(s):

Y.P. Varshni

Keyword(s):

Diatomic Molecules ◽

Spectroscopic Constants ◽

Homonuclear Diatomic Molecules

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Calculation of spectroscopic constants of diatomic molecules with the help of the potential functions of the perturbed Morse oscillator

Optics and Spectroscopy ◽

10.1134/1.1307435 ◽

2000 ◽

Vol 89 (2) ◽

pp. 200-204 ◽

Cited By ~ 5

Author(s):

A. D. Smirnov

Keyword(s):

Diatomic Molecules ◽

Potential Functions ◽

Spectroscopic Constants ◽

Morse Oscillator

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