Ab initio effective core potentials including relativistic effects. II. Potential energy curves for Xe2, Xe+2, and Xe∗2

Walter C. Ermler; Yoon S. Lee; Kenneth S. Pitzer; Nicholas W. Winter

doi:10.1063/1.436650

Ab initio effective core potentials including relativistic effects. II. Potential energy curves for Xe2, Xe+2, and Xe∗2

The Journal of Chemical Physics ◽

10.1063/1.436650 ◽

1978 ◽

Vol 69 (3) ◽

pp. 976 ◽

Cited By ~ 131

Author(s):

Walter C. Ermler ◽

Yoon S. Lee ◽

Kenneth S. Pitzer ◽

Nicholas W. Winter

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Relativistic Effects ◽

Potential Energy Curves ◽

Effective Core Potentials

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Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

The Journal of Chemical Physics ◽

10.1063/1.437189 ◽

1979 ◽

Vol 70 (1) ◽

pp. 293 ◽

Cited By ~ 63

Author(s):

Walter C. Ermler ◽

Yoon S. Lee ◽

Kenneth S. Pitzer

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Relativistic Effects ◽

Potential Energy Curves ◽

Effective Core Potentials

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Ab initio effective core potentials including relativistic effects.: II. Potential energy curves for Xe2, ${\rm Xe}^+_2$, and Xe*2

World Scientific Series in 20th Century Chemistry - Molecular Structure and Statistical Thermodynamics ◽

10.1142/9789812795960_0023 ◽

1993 ◽

pp. 128-135

Author(s):

Walter C. Ermler ◽

Yoon S. Lee ◽

Kenneth S. Pitzer ◽

Nicholas W. Winter

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Relativistic Effects ◽

Potential Energy Curves ◽

Effective Core Potentials

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Ab initio effective core potentials including relativistic effects.: IV. Potential energy curves for the ground and several excited states of Au2

World Scientific Series in 20th Century Chemistry - Molecular Structure and Statistical Thermodynamics ◽

10.1142/9789812795960_0025 ◽

1993 ◽

pp. 141-146

Author(s):

Walter C. Ermler ◽

Yoon S. Lee ◽

Kenneth S. Pitzer

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Relativistic Effects ◽

Potential Energy Curves ◽

Effective Core Potentials

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Ab initio potential-energy curves for excited electronic states of the molecular ion AsCl+

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01294-8 ◽

1997 ◽

Vol 264 (1-2) ◽

pp. 134-138

Author(s):

Gap-Sue Kim ◽

David M. Hirst

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Electronic States ◽

Potential Energy Curves ◽

Excited Electronic States ◽

Molecular Ion

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Ab initio potential energy curves for several molecular states of the multiply charged ion (OHe)6+

Chemical Physics Letters ◽

10.1016/0009-2614(89)85349-7 ◽

1989 ◽

Vol 155 (2) ◽

pp. 199-202 ◽

Cited By ~ 7

Author(s):

K. Amezian ◽

M.C. Bacchus-Montabonel

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curves ◽

Multiply Charged

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Ab initio effective core potentials including relativistic effects.: III. Ground state Au2 calculations

World Scientific Series in 20th Century Chemistry - Molecular Structure and Statistical Thermodynamics ◽

10.1142/9789812795960_0024 ◽

1993 ◽

pp. 136-140

Author(s):

Yoon S. Lee ◽

Walter C. Ermler ◽

Kenneth S. Pitzer ◽

A. D. McLean

Keyword(s):

Ab Initio ◽

Ground State ◽

Relativistic Effects ◽

Effective Core Potentials

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Ab initio complex potential energy curves of the He*(1s2p 1P)–Li dimer

The Journal of Chemical Physics ◽

10.1063/5.0008337 ◽

2020 ◽

Vol 152 (18) ◽

pp. 184303 ◽

Cited By ~ 5

Author(s):

Arie Landau ◽

Anael Ben-Asher ◽

Kirill Gokhberg ◽

Lorenz S. Cederbaum ◽

Nimrod Moiseyev

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Complex Potential ◽

Potential Energy Curves

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Ab initio calculations of the potential-energy curves of the low-lying states of NeC2+, ArC2+, NeO2+ and ArO2+

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29888401229 ◽

1988 ◽

Vol 84 (8) ◽

pp. 1229 ◽

Cited By ~ 7

Author(s):

Mark A. Vincent ◽

Ian H. Hillier

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Potential Energy Curves

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Ab Initio Potential Energy Curves for the Ground and Low Lying Excited States of NH– and the Effect of 2Σ± States on Λ-Doubling of the Ground State X2Π

The Journal of Physical Chemistry A ◽

10.1021/jp4027628 ◽

2013 ◽

Vol 117 (36) ◽

pp. 8623-8631 ◽

Cited By ~ 6

Author(s):

Saurabh Srivastava ◽

N. Sathyamurthy

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Ground State ◽

Potential Energy Curves

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Machine Learning Configuration Interaction for ab Initio Potential Energy Curves

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00828 ◽

2019 ◽

Vol 15 (11) ◽

pp. 6179-6189 ◽

Cited By ~ 4

Author(s):

Jeremy P. Coe

Keyword(s):

Machine Learning ◽

Potential Energy ◽

Ab Initio ◽

Configuration Interaction ◽

Potential Energy Curves

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