Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
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Published By Springer Netherlands

9789401040877, 9789401101936

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Accurate Theoretical Studies of Small Elemental Clusters

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_5 ◽

1995 ◽

pp. 173-207 ◽

Author(s):

Krishnan Raghavachari ◽

Larry A. Curtiss

Keyword(s):

Theoretical Studies

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Exact Quantum Chemistry by Monte Carlo Methods

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_1 ◽

1995 ◽

pp. 1-45 ◽

Author(s):

James B. Anderson

Keyword(s):

Monte Carlo ◽

Quantum Chemistry ◽

Monte Carlo Methods ◽

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Theoretical Spectroscopy on Small Molecules: Ab initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_7 ◽

1995 ◽

pp. 261-356 ◽

Author(s):

M. Perić ◽

B. Engels ◽

S. D. Peyerimhoff

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Electronic Spectra ◽

Magnetic Hyperfine ◽

Vibronic Structure ◽

Triatomic Molecules ◽

Theoretical Spectroscopy

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Magnetic Hyperfine Coupling Constants in Free Radicals

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_3 ◽

1995 ◽

pp. 109-138 ◽

Author(s):

Daniel M. Chipman

Keyword(s):

Free Radicals ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Magnetic Hyperfine ◽

Hyperfine Coupling Constants

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Theoretical Studies of the Electronic Spectra of Organic Molecules

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_8 ◽

1995 ◽

pp. 357-438 ◽

Author(s):

Björn O. Roos ◽

Markus Fülscher ◽

Per-Åke Malmqvist ◽

Manuela Merchán ◽

Luis Serrano-Andrés

Keyword(s):

Electronic Spectra ◽

Organic Molecules ◽

Theoretical Studies

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Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_4 ◽

1995 ◽

pp. 139-171 ◽

Author(s):

Larry A. Curtiss ◽

Krishnan Raghavachari

Keyword(s):

Electron Affinities ◽

Bond Energies ◽

Ionization Energies

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Achieving Chemical Accuracy with Coupled-Cluster Theory

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_2 ◽

1995 ◽

pp. 47-108 ◽

Author(s):

Timothy J. Lee ◽

Gustavo E. Scuseria

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

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Electronic spectroscopy of diatomic molecules

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy ◽

10.1007/978-94-011-0193-6_6 ◽

1995 ◽

pp. 209-260 ◽

Author(s):

Harry Partridge ◽

Stephen R. Langhoff ◽

Charles W. Bauschlicher

Keyword(s):

Diatomic Molecules ◽

Electronic Spectroscopy

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