MR-ccCA: A route for accurate ground and excited state potential energy curves and spectroscopic properties for third-row diatomic molecules

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.04.013 ◽

2014 ◽

Vol 1040-1041 ◽

pp. 72-83 ◽

Cited By ~ 7

Author(s):

Christopher South ◽

George Schoendorff ◽

Angela K. Wilson

Keyword(s):

Excited State ◽

Potential Energy ◽

Diatomic Molecules ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

State Potential

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Theoretical ground state and excited state potential energy curves for alkali diatomic molecules

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(72)90140-3 ◽

1972 ◽

Vol 42 (1) ◽

pp. 27-37 ◽

Cited By ~ 51

Author(s):

A.C. Roach

Keyword(s):

Excited State ◽

Potential Energy ◽

Ground State ◽

Diatomic Molecules ◽

Potential Energy Curves ◽

Theoretical Ground ◽

State Potential ◽

Alkali Diatomic Molecules

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Construction of bound-state potential energy curves of diatomic molecules from vibration-rotational spectroscopic data

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)87097-w ◽

1993 ◽

Vol 280 (1) ◽

pp. 89-99 ◽

Cited By ~ 5

Author(s):

Carlos G. Diaz ◽

Francisco M. Fernández ◽

Eduardo A. Castro

Keyword(s):

Potential Energy ◽

Spectroscopic Data ◽

Diatomic Molecules ◽

Bound State ◽

Potential Energy Curves ◽

State Potential

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Calculation of ground- and excited-state potential energy curves for the Cd-rare gas complexes

Chemical Physics ◽

10.1016/s0301-0104(99)00247-5 ◽

1999 ◽

Vol 248 (1) ◽

pp. 1-16 ◽

Cited By ~ 43

Author(s):

E. Czuchaj ◽

H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Curves ◽

Rare Gas ◽

State Potential

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Calculation of ground and excited state potential energy curves of the MgAr complex using the coupled cluster approximate triples model CC3

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01339-8 ◽

2002 ◽

Vol 364 (3-4) ◽

pp. 402-408 ◽

Cited By ~ 8

Author(s):

Kasper Hald ◽

Poul Jørgensen ◽

W.H Breckenridge ◽

Michał Jaszuński

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Curves ◽

Coupled Cluster ◽

State Potential

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The Hyperbolic Chemical Bond: Fourier Analysis of Ground and First Excited State Potential Energy Curves of HX (X = H−Ne)

The Journal of Physical Chemistry A ◽

10.1021/jp804945z ◽

2008 ◽

Vol 112 (35) ◽

pp. 8070-8085 ◽

Cited By ~ 2

Author(s):

John A. Harrison

Keyword(s):

Excited State ◽

Potential Energy ◽

Fourier Analysis ◽

Chemical Bond ◽

Potential Energy Curves ◽

First Excited State ◽

State Potential

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Construction of bound-state potential energy curves of diatomic molecules from spectroscopic data

Chemical Physics ◽

10.1016/0301-0104(91)87128-i ◽

1991 ◽

Vol 157 (1-2) ◽

pp. 35-44 ◽

Cited By ~ 3

Author(s):

Carlos G. Diaz ◽

Francisco M. Fernández ◽

Eduardo A. Castro

Keyword(s):

Potential Energy ◽

Spectroscopic Data ◽

Diatomic Molecules ◽

Bound State ◽

Potential Energy Curves ◽

State Potential

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Atoms-in-molecules study of ground- and excited-state potential-energy curves for Li2

Chemical Physics ◽

10.1016/0301-0104(83)87011-6 ◽

1983 ◽

Vol 78 (1) ◽

pp. 107-114 ◽

Cited By ~ 3

Author(s):

R. Polák ◽

J. Vojtík

Keyword(s):

Excited State ◽

Potential Energy ◽

Atoms In Molecules ◽

Potential Energy Curves ◽

State Potential

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EOMCC over excited state Hartree-Fock solutions (ESHF-EOMCC): An efficient approach for the entire ground state potential energy curves of higher-order bonds

AIP Advances ◽

10.1063/1.4928735 ◽

2015 ◽

Vol 5 (8) ◽

pp. 087140 ◽

Cited By ~ 1

Author(s):

Y. Sajeev

Keyword(s):

Excited State ◽

Potential Energy ◽

Ground State ◽

Higher Order ◽

Potential Energy Curves ◽

Efficient Approach ◽

Hartree Fock ◽

State Potential

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Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's1A1 manifold

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)70:4/5<933::aid-qua39>3.0.co;2-z ◽

1998 ◽

Vol 70 (4-5) ◽

pp. 933-941 ◽

Cited By ~ 122

Author(s):

Mark E. Casida ◽

Kim C. Casida ◽

Dennis R. Salahub

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Potential Energy ◽

Cross Section ◽

Density Functional ◽

Time Dependent ◽

Potential Energy Curves ◽

Functional Theory ◽

State Potential ◽

Dependent Density

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Density Functional Studies of the Ground- and Excited-State Potential-Energy Curves of Stilbenecis-trans Isomerization

ChemPhysChem ◽

10.1002/1439-7641(20020215)3:2<167::aid-cphc167>3.0.co;2-g ◽

2002 ◽

Vol 3 (2) ◽

pp. 167-178 ◽

Cited By ~ 42

Author(s):

Wen-Ge Han ◽

Timothy Lovell ◽

Tiqing Liu ◽

Louis Noodleman

Keyword(s):

Excited State ◽

Potential Energy ◽

Density Functional ◽

Potential Energy Curves ◽

Functional Studies ◽

Trans Isomerization ◽

State Potential

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