Multireference Configuration Interaction Calculations of Electronic States ofN-Methylformamide, Acetamide, andN-Methylacetamide

Jonathan D. Hirst; David M. Hirst; Charles L. Brooks

doi:10.1021/jp970675x

Multireference Configuration Interaction Calculations of Electronic States ofN-Methylformamide, Acetamide, andN-Methylacetamide

The Journal of Physical Chemistry A ◽

10.1021/jp970675x ◽

1997 ◽

Vol 101 (26) ◽

pp. 4821-4827 ◽

Cited By ~ 44

Author(s):

Jonathan D. Hirst ◽

David M. Hirst ◽

Charles L. Brooks

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Configuration Interaction Calculations

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Gaussian basis configuration interaction calculations on twenty electronic states of H3+. A bound 3Σu+ excited level

The Journal of Chemical Physics ◽

10.1063/1.1682194 ◽

1974 ◽

Vol 61 (5) ◽

pp. 1934-1942 ◽

Cited By ~ 62

Author(s):

L. J. Schaad ◽

W. V. Hicks

Keyword(s):

Configuration Interaction ◽

Excited Level ◽

Electronic States ◽

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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Multireference configuration interaction calculations of the low‐lying electronic states of ClO2

The Journal of Chemical Physics ◽

10.1063/1.462253 ◽

1992 ◽

Vol 96 (12) ◽

pp. 8948-8961 ◽

Cited By ~ 110

Author(s):

Kirk A. Peterson ◽

Hans‐Joachim Werner

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Configuration Interaction Calculations

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Relativistic configuration interaction calculations on the low-lying electronic states of Hl

Chemical Physics Letters ◽

10.1016/0009-2614(85)85296-9 ◽

1985 ◽

Vol 118 (2) ◽

pp. 192-196 ◽

Cited By ~ 12

Author(s):

D.A. Chapman ◽

K. Balasubramanian ◽

S.H. Lin

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

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Accurate multireference configuration interaction calculations on the lowest1Σ+and3Π electronic states of C2, CN+, BN, and BO+

The Journal of Chemical Physics ◽

10.1063/1.469399 ◽

1995 ◽

Vol 102 (1) ◽

pp. 262-277 ◽

Cited By ~ 101

Author(s):

Kirk A. Peterson

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Configuration Interaction Calculations

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Ab initio configuration interaction calculations of the potential curves and lifetimes of the low‐lying electronic states of the lead dimer

The Journal of Chemical Physics ◽

10.1063/1.471357 ◽

1996 ◽

Vol 104 (17) ◽

pp. 6631-6642 ◽

Cited By ~ 9

Author(s):

Kalyan K. Das ◽

Heinz‐Peter Liebermann ◽

Robert J. Buenker ◽

Gerhard Hirsch

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Electronic States ◽

Configuration Interaction Calculations ◽

Potential Curves

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Topology of conical/surface intersections among five low-lying electronic states of CO2: Multireference configuration interaction calculations

The Journal of Chemical Physics ◽

10.1063/1.4824483 ◽

2013 ◽

Vol 139 (15) ◽

pp. 154302 ◽

Cited By ~ 7

Author(s):

Bo Zhou ◽

Chaoyuan Zhu ◽

Zhenyi Wen ◽

Zhenyi Jiang ◽

Jianguo Yu ◽

...

Keyword(s):

Configuration Interaction ◽

Electronic States ◽

Conical Surface ◽

Surface Intersections ◽

Configuration Interaction Calculations

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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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