Recent developments in the general atomic and molecular electronic structure system

The Journal of Chemical Physics ◽

10.1063/5.0005188 ◽

2020 ◽

Vol 152 (15) ◽

pp. 154102 ◽

Author(s):

Giuseppe M. J. Barca ◽

Colleen Bertoni ◽

Laura Carrington ◽

Dipayan Datta ◽

Nuwan De Silva ◽

...

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Recent Developments ◽

Molecular Electronic Structure

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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 ◽

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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General atomic and molecular electronic structure system

Journal of Computational Chemistry ◽

10.1002/jcc.540141112 ◽

1993 ◽

Vol 14 (11) ◽

pp. 1347-1363 ◽

Cited By ~ 14343

Author(s):

Michael W. Schmidt ◽

Kim K. Baldridge ◽

Jerry A. Boatz ◽

Steven T. Elbert ◽

Mark S. Gordon ◽

...

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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HONDO: A General Atomic and Molecular Electronic Structure System

Modern Techniques in Computational Chemistry: MOTECC™-89 ◽

10.1007/978-94-010-9057-5_7 ◽

1989 ◽

pp. 307-361 ◽

Author(s):

M. Dupuis ◽

P. Mougenot ◽

J. D. Watts ◽

G. J. B. Hurst ◽

H. O. Villar

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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HONDO: A General Atomic and Molecular Electronic Structure System

Modern Techniques in Computational Chemistry: MOTECC™-90 ◽

10.1007/978-94-009-2219-8_6 ◽

1990 ◽

pp. 277-342 ◽

Author(s):

M. Dupuis ◽

A. Farazdel ◽

S. P. Karna ◽

S. A. Maluendes

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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HONDO: A General Atomic and Molecular Electronic Structure System

Modem Techniques in Computational Chemistry: MOTECC-91 ◽

10.1007/978-94-011-3032-5_12 ◽

1991 ◽

pp. 469-534 ◽

Author(s):

M. Dupuis ◽

S. A. Maluendes

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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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 ◽

Author(s):

Alexander K. H. Weiss ◽

Christian Ochsenfeld

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Molecular Electronic ◽

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 ◽

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 ◽

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

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 ◽

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Electronic Structure ◽

Linear Dependence ◽

Electronic Structure Calculations ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

Structure Calculations

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

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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