Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

Keiran Thompson; Todd J. Martı́nez

doi:10.1063/1.478027

Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

The Journal of Chemical Physics ◽

10.1063/1.478027 ◽

1999 ◽

Vol 110 (3) ◽

pp. 1376-1382 ◽

Cited By ~ 37

Author(s):

Keiran Thompson ◽

Todd J. Martı́nez

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Quantum Dynamics ◽

Electronic States ◽

Wave Functions ◽

Full Configuration Interaction

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Erratum: “Ab Initio Configuration Interaction Calculation of the Low-Lying Electronic States of CaH Molecule”

Journal of the Physical Society of Japan ◽

10.1143/jpsj.48.2156 ◽

1980 ◽

Vol 48 (6) ◽

pp. 2156-2156

Author(s):

Nobumitsu Honjou ◽

Takeshi Noro ◽

Mikako Takagi ◽

Kimio Ohno ◽

Mitsugu Makita

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States

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The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water

The Journal of Chemical Physics ◽

10.1063/1.464749 ◽

1993 ◽

Vol 98 (9) ◽

pp. 7059-7071 ◽

Cited By ~ 444

Author(s):

David Feller

Keyword(s):

Configuration Interaction ◽

Wave Functions ◽

Basis Set ◽

Full Configuration Interaction ◽

Complete Basis ◽

Complete Basis Set

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The electronic states of the azines. II. Pyridine, studied by VUV absorption, near-threshold electron energy loss spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/0301-0104(90)87070-r ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 365-378 ◽

Cited By ~ 93

Author(s):

Isobel C. Walker ◽

Michael H. Palmer ◽

Andrew Hopkirk

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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Cluster analysis of the full configuration interaction wave functions of cyclic polyene models

International Journal of Quantum Chemistry ◽

10.1002/qua.560220611 ◽

1982 ◽

Vol 22 (6) ◽

pp. 1281-1305 ◽

Cited By ~ 76

Author(s):

J. Paldus ◽

M. J. Boyle

Keyword(s):

Cluster Analysis ◽

Configuration Interaction ◽

Wave Functions ◽

Full Configuration Interaction ◽

Cyclic Polyene

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Ab initio configuration interaction study of the low‐lying electronic states of MgH

The Journal of Chemical Physics ◽

10.1063/1.436556 ◽

1978 ◽

Vol 69 (12) ◽

pp. 5301-5309 ◽

Cited By ~ 53

Author(s):

R. P. Saxon ◽

K. Kirby ◽

B. Liu

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Interaction Study

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Ab initio Based Configuration Interaction Study of the Electronic States of InP†

The Journal of Physical Chemistry A ◽

10.1021/jp993321+ ◽

2000 ◽

Vol 104 (12) ◽

pp. 2764-2771 ◽

Cited By ~ 3

Author(s):

Biswabrata Manna ◽

Antara Dutta ◽

Kalyan Kumar Das

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Interaction Study

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The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

Chemical Physics ◽

10.1016/s0301-0104(96)00330-8 ◽

1997 ◽

Vol 214 (2-3) ◽

pp. 191-211 ◽

Cited By ~ 21

Author(s):

Michael H. Palmer ◽

Hamish McNab ◽

David Reed ◽

Anne Pollacchi ◽

Isobel C. Walker ◽

...

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Interaction Studies ◽

Electron Energy Loss ◽

Near Threshold

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An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd 2 using Slater-type orbitals

Theoretical Chemistry Accounts ◽

10.1007/s002140000134 ◽

2000 ◽

Vol 104 (3-4) ◽

pp. 189-194 ◽

Cited By ~ 11

Author(s):

José M. García de la Vega ◽

Beatriz Miguel

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Slater Type Orbitals ◽

Slater Type ◽

Interaction Study

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Ab initio configuration interaction calculations of the potential curves and lifetimes of the low‐lying electronic states of the lead dimer

The Journal of Chemical Physics ◽

10.1063/1.471357 ◽

1996 ◽

Vol 104 (17) ◽

pp. 6631-6642 ◽

Cited By ~ 9

Author(s):

Kalyan K. Das ◽

Heinz‐Peter Liebermann ◽

Robert J. Buenker ◽

Gerhard Hirsch

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Configuration Interaction Calculations ◽

Potential Curves

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The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods

The Journal of Chemical Physics ◽

10.1063/1.3549812 ◽

2011 ◽

Vol 134 (8) ◽

pp. 084309 ◽

Cited By ~ 12

Author(s):

Michael H. Palmer ◽

Søren Vrønning Hoffmann ◽

Nykola C. Jones ◽

Ashley R. Head ◽

Dennis L. Lichtenberger

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Photoelectron Spectroscopy ◽

Vacuum Ultraviolet ◽

Electronic States ◽

Ultraviolet Photoelectron Spectroscopy

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