Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00680 ◽

2018 ◽

Vol 14 (10) ◽

pp. 5180-5191 ◽

Author(s):

Janus J. Eriksen ◽

Jürgen Gauss

Keyword(s):

Configuration Interaction ◽

Many Body ◽

Full Configuration Interaction

Download Full-text

Ground and excited state first-order properties in many-body expanded full configuration interaction theory

The Journal of Chemical Physics ◽

10.1063/5.0024791 ◽

2020 ◽

Vol 153 (15) ◽

pp. 154107 ◽

Author(s):

Janus J. Eriksen ◽

Jürgen Gauss

Keyword(s):

Excited State ◽

Configuration Interaction ◽

Interaction Theory ◽

Many Body ◽

Full Configuration Interaction ◽

Download Full-text

Generalized Many-Body Expanded Full Configuration Interaction Theory

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.9b02968 ◽

2019 ◽

Vol 10 (24) ◽

pp. 7910-7915 ◽

Author(s):

Janus J. Eriksen ◽

Jürgen Gauss

Keyword(s):

Configuration Interaction ◽

Interaction Theory ◽

Many Body ◽

Full Configuration Interaction

Download Full-text

Many‐body perturbation theory of electrostatic interactions between molecules: Comparison with full configuration interaction for four‐electron dimers

The Journal of Chemical Physics ◽

10.1063/1.465554 ◽

1993 ◽

Vol 99 (11) ◽

pp. 8856-8869 ◽

Author(s):

Robert Moszynski ◽

Bogumil/ Jeziorski ◽

Artur Ratkiewicz ◽

Stanisl/aw Rybak

Keyword(s):

Perturbation Theory ◽

Configuration Interaction ◽

Electrostatic Interactions ◽

Many Body ◽

Full Configuration Interaction ◽

Many Body Perturbation Theory

Download Full-text

Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00456 ◽

2019 ◽

Vol 15 (9) ◽

pp. 4873-4884 ◽

Author(s):

Janus J. Eriksen ◽

Jürgen Gauss

Keyword(s):

Configuration Interaction ◽

Strongly Correlated ◽

Many Body ◽

Full Configuration Interaction

Download Full-text

Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.7b02075 ◽

2017 ◽

Vol 8 (18) ◽

pp. 4633-4639 ◽

Author(s):

Janus J. Eriksen ◽

Filippo Lipparini ◽

Jürgen Gauss

Keyword(s):

Configuration Interaction ◽

Many Body ◽

Full Configuration Interaction ◽

Virtual Orbital

Download Full-text

Many‐body theory of exchange effects in intermolecular interactions. Second‐quantization approach and comparison with full configuration interaction results

The Journal of Chemical Physics ◽

10.1063/1.466661 ◽

1994 ◽

Vol 100 (2) ◽

pp. 1312-1325 ◽

Author(s):

Robert Moszynski ◽

Bogumil/ Jeziorski ◽

Krzysztof Szalewicz

Keyword(s):

Intermolecular Interactions ◽

Configuration Interaction ◽

Many Body ◽

Second Quantization ◽

Full Configuration Interaction ◽

Many Body Theory ◽

Exchange Effects ◽

Download Full-text

Multi-component molecular orbital theory for electrons and nuclei including many-body effect with full configuration interaction treatment: isotope effects on hydrogen molecules

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00881-3 ◽

2002 ◽

Vol 360 (5-6) ◽

pp. 494-500 ◽

Author(s):

Masanori Tachikawa

Keyword(s):

Molecular Orbital ◽

Configuration Interaction ◽

Isotope Effects ◽

Molecular Orbital Theory ◽

Many Body ◽

Orbital Theory ◽

Body Effect ◽

Full Configuration Interaction ◽

Hydrogen Molecules ◽

Interaction Treatment

Download Full-text

Erratum: Pseudospectral full configuration interaction [J. Chem. Phys. 97, 1876 (1992)]

The Journal of Chemical Physics ◽

10.1063/1.466235 ◽

1993 ◽

Vol 99 (5) ◽

pp. 4238-4238 ◽

Author(s):

Todd J. Martinez ◽

Aseem Mehta ◽

Emily A. Carter

Keyword(s):

Configuration Interaction ◽

Chem Phys ◽

Full Configuration Interaction

Download Full-text

Toward Full Configuration Interaction for Transition-Metal Complexes

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07624 ◽

2021 ◽

Vol 125 (7) ◽

pp. 1598-1609

Author(s):

Alan E. Rask ◽

Paul M. Zimmerman

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Configuration Interaction ◽

Full Configuration Interaction

Download Full-text

Full configuration interaction for the benzyl radical

International Journal of Quantum Chemistry ◽

10.1002/qua.560040107 ◽

1970 ◽

Vol 4 (1) ◽

pp. 73-87 ◽

Author(s):

V. A. Kuprievich ◽

Yuri A. Kruglyak ◽

E. V. Mozdor

Keyword(s):

Configuration Interaction ◽

Full Configuration Interaction ◽

Download Full-text