Unitary group approach to molecular electronic structure

Group Theoretical Methods in Physics - Lecture Notes in Physics ◽

10.1007/3-540-09238-2_15 ◽

2008 ◽

pp. 51-65 ◽

Cited By ~ 4

Author(s):

Josef Paldus

Keyword(s):

Electronic Structure ◽

Unitary Group ◽

Molecular Electronic ◽

Group Approach ◽

Unitary Group Approach ◽

Molecular Electronic Structure

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Unitary Group Approach to Configuration Interaction Calculations of the Electronic Structure of Atoms and Molecules

Mathematical Frontiers in Computational Chemical Physics - The IMA Volumes in Mathematics and Its Applications ◽

10.1007/978-1-4684-6363-7_11 ◽

1988 ◽

pp. 300-349 ◽

Cited By ~ 37

Author(s):

Isaiah Shavitt

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Atoms And Molecules ◽

Unitary Group Approach ◽

Configuration Interaction Calculations

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A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory

Journal of Computational Chemistry ◽

10.1002/jcc.23935 ◽

2015 ◽

Vol 36 (18) ◽

pp. 1390-1398 ◽

Cited By ~ 5

Author(s):

Alexander K. H. Weiss ◽

Christian Ochsenfeld

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

Boys Function

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The general atomic and molecular electronic structure system hondo: Version 7.0

Computer Physics Communications ◽

10.1016/0010-4655(89)90116-1 ◽

1989 ◽

Vol 52 (3) ◽

pp. 415-425 ◽

Cited By ~ 66

Author(s):

M. Dupuis ◽

J.D. Watts ◽

H.O. Villar ◽

G.J.B. Hurst

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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A new implementation of the full CCSDT model for molecular electronic structure

Chemical Physics Letters ◽

10.1016/0009-2614(88)80110-6 ◽

1988 ◽

Vol 152 (4-5) ◽

pp. 382-386 ◽

Cited By ~ 455

Author(s):

Gustavo E. Scuseria ◽

Henry F. Schaefer

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Molecular Electronic Structure

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Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculations

Molecular Physics ◽

10.1080/00268979400100384 ◽

1994 ◽

Vol 82 (3) ◽

pp. 523-530 ◽

Cited By ~ 27

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Basis Sets ◽

Molecular Electronic ◽

Gaussian Functions ◽

Molecular Electronic Structure ◽

Structure Calculations

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Computational linear dependence in molecular electronic structure calculations using universal basis sets

International Journal of Quantum Chemistry ◽

10.1002/qua.20275 ◽

2004 ◽

Vol 101 (4) ◽

pp. 363-371 ◽

Cited By ~ 7

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Electronic Structure ◽

Linear Dependence ◽

Electronic Structure Calculations ◽

Basis Sets ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

Structure Calculations

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ChemInform Abstract: Molecular Electronic Structure and Energetics of the Isomers of Ti2H6.

ChemInform ◽

10.1002/chin.199829005 ◽

2010 ◽

Vol 29 (29) ◽

pp. no-no

Author(s):

S. P. WEBB ◽

M. S. GORDON

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Molecular Electronic Structure

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Mechanism and Molecular−Electronic Structure Correlations in a Novel Series of Osmium(V) Hydrazido Complexes

Inorganic Chemistry ◽

10.1021/ic000058e ◽

2000 ◽

Vol 39 (14) ◽

pp. 3075-3085 ◽

Cited By ~ 26

Author(s):

My Hang V. Huynh ◽

El-Sayed El-Samanody ◽

Konstantinos D. Demadis ◽

Peter S. White ◽

Thomas J. Meyer

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure Correlations ◽

Molecular Electronic Structure

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The unitary group approach in Configuration Interaction (CI) methods

Computer Physics Reports ◽

10.1016/0167-7977(84)90007-8 ◽

1984 ◽

Vol 1 (3-4) ◽

pp. 127-236 ◽

Cited By ~ 53

Author(s):

Michael A. Robb ◽

Ufuk Niazi

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach

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On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00477-8 ◽

2001 ◽

Vol 547 (1-3) ◽

pp. 279-291 ◽

Cited By ~ 12

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Quantum Electrodynamics ◽

Electronic Structure Theory ◽

Structure Theory ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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