Multi‐Reference Configuration Interaction

Quantum Chemistry and Dynamics of Excited States ◽

10.1002/9781119417774.ch9 ◽

2020 ◽

pp. 277-297

Author(s):

Felix Plasser ◽

Hans Lischka

Keyword(s):

Configuration Interaction ◽

Reference Configuration

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Singlet-triplet energy component differences in homonuclear diatomics: A multi-reference configuration interaction study of Hund's rule

Chemical Physics ◽

10.1016/0301-0104(91)87134-h ◽

1991 ◽

Vol 157 (1-2) ◽

pp. 99-104 ◽

Author(s):

Katherine Valenta Darvesh ◽

Paul D. Fricker ◽

Russell J. Boyd

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Interaction Study ◽

Triplet Energy ◽

Energy Component ◽

Hund’S Rule ◽

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Matrix-Formulated Direct Multiconfiguration Self-Consistent Field and Multiconfiguration Reference Configuration-Interaction Methods

Advances in Chemical Physics ◽

10.1002/9780470142943.ch1 ◽

2007 ◽

pp. 1-62 ◽

Author(s):

Hans-Joachim Werner

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Importance of multi-reference configuration interaction for 3Σu−←X3Σg− transitions of linear HC7H

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00390-1 ◽

2002 ◽

Vol 356 (3-4) ◽

pp. 398-402 ◽

Author(s):

Giannis Mpourmpakis ◽

Max Mühlhäuser ◽

George E. Froudakis ◽

Sigrid D. Peyerimhoff

Keyword(s):

Configuration Interaction ◽

Reference Configuration

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The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer

Molecular Physics ◽

10.1080/00268970412331317788 ◽

2004 ◽

Vol 102 (21-22) ◽

pp. 2369-2379 ◽

Author(s):

P. Celani ◽

H. Stoll ◽

H.-J. Werner ◽

P.J. Knowles *

Keyword(s):

Perturbation Theory ◽

Configuration Interaction ◽

Reference Configuration ◽

Theory Application

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The electronic states of the azines. II. Pyridine, studied by VUV absorption, near-threshold electron energy loss spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/0301-0104(90)87070-r ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 365-378 ◽

Author(s):

Isobel C. Walker ◽

Michael H. Palmer ◽

Andrew Hopkirk

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

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The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

Chemical Physics ◽

10.1016/s0301-0104(96)00330-8 ◽

1997 ◽

Vol 214 (2-3) ◽

pp. 191-211 ◽

Author(s):

Michael H. Palmer ◽

Hamish McNab ◽

David Reed ◽

Anne Pollacchi ◽

Isobel C. Walker ◽

...

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Interaction Studies ◽

Electron Energy Loss ◽

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A comparison of variational and non-variational internally contracted multiconfiguration-reference configuration interaction calculations

Theoretica Chimica Acta ◽

10.1007/bf01112867 ◽

1991 ◽

Vol 78 (3) ◽

pp. 175-187 ◽

Author(s):

Hans-Joachim Werner ◽

Peter J. Knowles

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Configuration Interaction Calculations

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The multi-reference configuration interaction method on massively parallel architectures

High Performance Computing in Science and Engineering ’99 ◽

10.1007/978-3-642-59686-5_15 ◽

2000 ◽

pp. 165-182

Author(s):

P. Stampfuß ◽

W. Wenzel

Keyword(s):

Configuration Interaction ◽

Parallel Architectures ◽

Massively Parallel ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method ◽

Massively Parallel Architectures

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An efficient internally contracted multiconfiguration–reference configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.455556 ◽

1988 ◽

Vol 89 (9) ◽

pp. 5803-5814 ◽

Cited By ~ 2717

Author(s):

Hans‐Joachim Werner ◽

Peter J. Knowles

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method

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Efficient truncation strategies for multi-reference configuration interaction molecular energies and properties

The Journal of Chemical Physics ◽

10.1063/1.477391 ◽

1998 ◽

Vol 109 (17) ◽

pp. 7085-7092 ◽

Author(s):

Paolo Palmieri ◽

Riccardo Tarroni ◽

Alexander O. Mitrushenkov ◽

Sten Rettrup

Keyword(s):

Configuration Interaction ◽

Reference Configuration

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