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

Download Full-text

An Implementation of the Configuration-selecting Multi-reference Configuration-interaction Method on Massively Parallel Architectures

New Trends in Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-46951-0_7 ◽

2001 ◽

pp. 95-113

Author(s):

P. Stampfuss ◽

W. Wenzel

Keyword(s):

Configuration Interaction ◽

Parallel Architectures ◽

Massively Parallel ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method ◽

Massively Parallel Architectures

Download Full-text

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

Download Full-text

Examination of Potential Energy Curves of CFCl by Multi-reference Configuration Interaction Method

Chinese Physics Letters ◽

10.1088/0256-307x/32/12/123101 ◽

2015 ◽

Vol 32 (12) ◽

pp. 123101 ◽

Author(s):

Er-Ping Sun ◽

Qi-Xin Liu ◽

Ting-Qi Ren ◽

Shi-Min Shan ◽

Hai-Feng Xu ◽

...

Keyword(s):

Potential Energy ◽

Configuration Interaction ◽

Potential Energy Curves ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

Spectroscopic investigations on NO + ( X 1 Σ + , a 3 Σ + , A 1 Π) ion using multi-reference configuration interaction method and correlation-consistent sextuple basis set augmented with diffuse functions

Chinese Physics B ◽

10.1088/1674-1056/20/6/060401 ◽

2011 ◽

Vol 20 (6) ◽

pp. 060401

Author(s):

Jin-Ping Zhang ◽

Xin-Lu Cheng ◽

Hong Zhang ◽

Xiang-Dong Yang

Keyword(s):

Configuration Interaction ◽

Basis Set ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method ◽

Spectroscopic Investigations ◽

Correlation Consistent

Download Full-text

Calculation of Potential Energy Curves of Excited States of Molecular Hydrogen by Multi-Reference Configuration-interaction Method

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2013.34.6.1771 ◽

2013 ◽

Vol 34 (6) ◽

pp. 1771-1778 ◽

Author(s):

Chun-Woo Lee ◽

Yeongrok Gim ◽

Tae Hoon Choi

Keyword(s):

Potential Energy ◽

Excited States ◽

Configuration Interaction ◽

Molecular Hydrogen ◽

Potential Energy Curves ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

A matrix coupled-cluster correction to the multi-reference configuration interaction method

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.05.016 ◽

2006 ◽

Vol 768 (1-3) ◽

pp. 63-69 ◽

Author(s):

Leszek Meissner

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Coupled Cluster ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

A coupled-cluster correction to the multi-reference configuration interaction method

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01332-3 ◽

1999 ◽

Vol 300 (1-2) ◽

pp. 53-60 ◽

Author(s):

Leszek Meissner ◽

Ireneusz Grabowski

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Coupled Cluster ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

Studies of excited states of HeH by the multi-reference configuration–interaction method

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/46/21/215001 ◽

2013 ◽

Vol 46 (21) ◽

pp. 215001 ◽

Author(s):

Chun-Woo Lee ◽

Yeongrok Gim

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

The coupled-cluster correction to multi-reference configuration interaction method: application to excited states

Chemical Physics Letters ◽

10.1016/s0009-2614(99)01209-9 ◽

2000 ◽

Vol 316 (5-6) ◽

pp. 501-509 ◽

Author(s):

Leszek Meissner ◽

Marcel Nooijen

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Coupled Cluster ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text

A complex scaled multi-reference configuration interaction method to study Li and Li-like cations (Be, B, C, N, O) Auger resonances 1s2s2 2S and 1s(2s2p 3Po) 2Po

Journal of Molecular Structure ◽

10.1016/j.molstruc.2012.04.020 ◽

2012 ◽

Vol 1023 ◽

pp. 96-100 ◽

Author(s):

Song Bin Zhang ◽

Danny L. Yeager

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Interaction Method ◽

Configuration Interaction Method

Download Full-text