Full configuration interaction pseudopotential determination of the ground-state potential energy curves of Li2 and LiH

Angelo M. Maniero; Paulo H. Acioli

doi:10.1002/qua.20593

Full configuration interaction pseudopotential determination of the ground-state potential energy curves of Li2 and LiH

International Journal of Quantum Chemistry ◽

10.1002/qua.20593 ◽

2005 ◽

Vol 103 (5) ◽

pp. 711-717 ◽

Cited By ~ 28

Author(s):

Angelo M. Maniero ◽

Paulo H. Acioli

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Ground State ◽

Potential Energy Curves ◽

Full Configuration Interaction ◽

State Potential

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Ab initio determination of the ground-state potential energy curve for Ar2

Chemical Physics Letters ◽

10.1016/0009-2614(82)83485-4 ◽

1982 ◽

Vol 85 (4) ◽

pp. 423-427 ◽

Cited By ~ 18

Author(s):

M. Krauss ◽

W.J. Stevens

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Potential Energy Curve ◽

Energy Curve ◽

State Potential

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A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

The Journal of Chemical Physics ◽

10.1063/1.4984616 ◽

2017 ◽

Vol 146 (22) ◽

pp. 224108 ◽

Cited By ~ 16

Author(s):

Emmanuel Giner ◽

Celestino Angeli ◽

Yann Garniron ◽

Anthony Scemama ◽

Jean-Paul Malrieu

Keyword(s):

Potential Energy ◽

Ground State ◽

Second Order ◽

Potential Energy Curves ◽

State Potential ◽

Perturbative Treatment

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Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl- 2

Molecular Physics ◽

10.1080/00268979000100391 ◽

1990 ◽

Vol 69 (3) ◽

pp. 549-557 ◽

Cited By ~ 8

Author(s):

S.P. Karna ◽

Friedrich Grein ◽

B. Engels ◽

S.D. Peyerimhoff

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Configuration Interaction ◽

Ground State ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Interaction Studies ◽

State Potential

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Full configuration interaction potential energy curves for the X 1Σg+, B 1Δg, and B′ 1Σg+ states of C2: A challenge for approximate methods

The Journal of Chemical Physics ◽

10.1063/1.1804498 ◽

2004 ◽

Vol 121 (19) ◽

pp. 9211-9219 ◽

Cited By ~ 110

Author(s):

Micah L. Abrams ◽

C. David Sherrill

Keyword(s):

Potential Energy ◽

Interaction Potential ◽

Configuration Interaction ◽

Potential Energy Curves ◽

Approximate Methods ◽

Full Configuration Interaction ◽

Interaction Potential Energy

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Ab initio MC–SCF ground‐state potential energy curves for LiH−, NaH−, and CsH−

The Journal of Chemical Physics ◽

10.1063/1.435921 ◽

1978 ◽

Vol 68 (4) ◽

pp. 1942-1950 ◽

Cited By ~ 48

Author(s):

Arnold M. Karo ◽

Maureen A. Gardner ◽

John R. Hiskes

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Potential Energy Curves ◽

State Potential

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Determination of the Effective Ground State Potential Energy Function of Ozone from High-Resolution Infrared Spectra

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.1999.7928 ◽

1999 ◽

Vol 198 (1) ◽

pp. 57-76 ◽

Cited By ~ 122

Author(s):

Vl.G. Tyuterev ◽

S. Tashkun ◽

P. Jensen ◽

A. Barbe ◽

T. Cours

Keyword(s):

High Resolution ◽

Potential Energy ◽

Infrared Spectra ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

State Potential

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Erratum: On the determination of the ground state potential energy of Ne2 from its vacuum ultraviolet spectrum

The Journal of Chemical Physics ◽

10.1063/1.1679936 ◽

1973 ◽

Vol 59 (10) ◽

pp. 5748-5748 ◽

Cited By ~ 1

Author(s):

Y. Tanaka ◽

K. Yoshino ◽

D. E. Freeman

Keyword(s):

Potential Energy ◽

Ground State ◽

Vacuum Ultraviolet ◽

Ultraviolet Spectrum ◽

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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Configuration interaction calculations on the X1Sigma+ground state and low-lying A1Pi and1Delta excited states of the PN molecule. II. Potential energy curves of the A1Pi and1Delta excited states of PN and spectroscopic properties

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/26/13/014 ◽

1993 ◽

Vol 26 (13) ◽

pp. 1915-1934 ◽

Cited By ~ 12

Author(s):

G de Brouckere ◽

D Feller ◽

J J A Koot

Keyword(s):

Potential Energy ◽

Excited States ◽

Configuration Interaction ◽

Ground State ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Configuration Interaction Calculations

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Determination of the ground‐state potential energy curve of 6LiH up to dissociation

The Journal of Chemical Physics ◽

10.1063/1.444155 ◽

1982 ◽

Vol 77 (5) ◽

pp. 2350-2354 ◽

Cited By ~ 19

Author(s):

K. K. Verma ◽

W. C. Stwalley

Keyword(s):

Potential Energy ◽

Ground State ◽

Potential Energy Curve ◽

Energy Curve ◽

State Potential

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