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

Hans-Joachim Werner; Peter J. Knowles

doi:10.1007/bf01112867

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 ◽

Cited By ~ 152

Author(s):

Hans-Joachim Werner ◽

Peter J. Knowles

Keyword(s):

Configuration Interaction ◽

Reference Configuration ◽

Configuration Interaction Calculations

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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 ◽

Cited By ~ 93

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 ◽

Near Threshold

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The electronic states of thiophene studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/s0301-0104(98)00425-x ◽

1999 ◽

Vol 241 (3) ◽

pp. 275-296 ◽

Cited By ~ 58

Author(s):

Michael H. Palmer ◽

Isobel C. Walker ◽

Martyn F. Guest

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/s0301-0104(03)00238-6 ◽

2003 ◽

Vol 291 (3) ◽

pp. 287-306 ◽

Cited By ~ 17

Author(s):

Michael H. Palmer ◽

Martyn F. Guest

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Reference Configuration ◽

Configuration Interaction Calculations

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The electronic states of the azines. VI. 1,3,5-triazine, studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/0301-0104(92)80023-o ◽

1992 ◽

Vol 167 (1-2) ◽

pp. 61-75 ◽

Cited By ~ 24

Author(s):

Isobel C. Walker ◽

Michael H. Palmer ◽

Charles C. Ballard

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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

Chemical Physics ◽

10.1016/0301-0104(91)87143-j ◽

1991 ◽

Vol 157 (1-2) ◽

pp. 187-200 ◽

Cited By ~ 46

Author(s):

Michael H. Palmer ◽

Isobel C. Walker

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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The electronic states of the azines. VII. 1,2,4-triazine, studied by photon absorption, near-threshold electron energy loss spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/0301-0104(95)00308-8 ◽

1995 ◽

Vol 201 (2-3) ◽

pp. 381-391 ◽

Cited By ~ 23

Author(s):

Michael H. Palmer ◽

Isobel C. Walker ◽

Martyn F. Guest ◽

Michele R.F. Siggel

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Photon Absorption ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations

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

Chemical Physics ◽

10.1016/0301-0104(94)00386-o ◽

1995 ◽

Vol 192 (2) ◽

pp. 111-125 ◽

Cited By ~ 86

Author(s):

Michael H. Palmer ◽

Isobel C. Walker ◽

Charles C. Ballard ◽

Martyn F. Guest

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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The electronic states of pyrrole studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

Chemical Physics ◽

10.1016/s0301-0104(98)00285-7 ◽

1998 ◽

Vol 238 (2) ◽

pp. 179-199 ◽

Cited By ~ 87

Author(s):

Michael H. Palmer ◽

Isobel C. Walker ◽

Martyn F. Guest

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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Internally contracted multiconfiguration-reference configuration interaction calculations for excited states

Theoretica Chimica Acta ◽

10.1007/bf01117405 ◽

1992 ◽

Vol 84 (1-2) ◽

pp. 95-103 ◽

Cited By ~ 382

Author(s):

Peter J. Knowles ◽

Hans-Joachim Werner

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Reference Configuration ◽

Configuration Interaction Calculations

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

Chemical Physics ◽

10.1016/0301-0104(91)90017-n ◽

1991 ◽

Vol 153 (1-2) ◽

pp. 169-187 ◽

Cited By ~ 66

Author(s):

Isobel C. Walker ◽

Michael H. Palmer

Keyword(s):

Energy Loss ◽

Ab Initio ◽

Electron Energy ◽

Configuration Interaction ◽

Electron Energy Loss Spectroscopy ◽

Electronic States ◽

Reference Configuration ◽

Electron Energy Loss ◽

Configuration Interaction Calculations ◽

Near Threshold

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