Electronic structure of Rh, RhH, and Rh2 as derived from ab initio (configuration interaction) calculations

F. Illas; J. Rubio; J. Cañellas; J. M. Ricart

doi:10.1063/1.459695

Electronic structure of Rh, RhH, and Rh2 as derived from ab initio (configuration interaction) calculations

The Journal of Chemical Physics ◽

10.1063/1.459695 ◽

1990 ◽

Vol 93 (4) ◽

pp. 2603-2610 ◽

Cited By ~ 33

Author(s):

F. Illas ◽

J. Rubio ◽

J. Cañellas ◽

J. M. Ricart

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Configuration Interaction ◽

Configuration Interaction Calculations

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Large-scale ab initio configuration interaction calculations for light nuclei

Journal of Physics Conference Series ◽

10.1088/1742-6596/403/1/012019 ◽

2012 ◽

Vol 403 ◽

pp. 012019 ◽

Cited By ~ 16

Author(s):

Pieter Maris ◽

H Metin Aktulga ◽

Mark A Caprio ◽

Ümit V Çatalyürek ◽

Esmond G Ng ◽

...

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Large Scale ◽

Light Nuclei ◽

Configuration Interaction Calculations

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Unitary Group Approach to Configuration Interaction Calculations of the Electronic Structure of Atoms and Molecules

Mathematical Frontiers in Computational Chemical Physics - The IMA Volumes in Mathematics and Its Applications ◽

10.1007/978-1-4684-6363-7_11 ◽

1988 ◽

pp. 300-349 ◽

Cited By ~ 37

Author(s):

Isaiah Shavitt

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Atoms And Molecules ◽

Unitary Group Approach ◽

Configuration Interaction Calculations

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Ab initio configuration interaction calculations of the hyperfine structure in small radicals

The Journal of Chemical Physics ◽

10.1063/1.446826 ◽

1984 ◽

Vol 80 (3) ◽

pp. 1006-1017 ◽

Cited By ~ 144

Author(s):

David Feller ◽

Ernest R. Davidson

Keyword(s):

Ab Initio ◽

Hyperfine Structure ◽

Configuration Interaction ◽

Configuration Interaction Calculations

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B 3 Σ − u − X 3 Σ − g transition in selenium dimer: ab initio multireference configuration interaction calculations

Chinese Physics B ◽

10.1088/1674-1056/20/4/043101 ◽

2011 ◽

Vol 20 (4) ◽

pp. 043101 ◽

Cited By ~ 3

Author(s):

Bing Yan ◽

Li-Li Liu ◽

Chang-Li Wei ◽

Jing Guo ◽

Yu-Juan Zhang

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Configuration Interaction Calculations

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Gaussian functions in Hylleraas‐configuration interaction calculations. V. An accurate ab initio H+3 potential‐energy surface

The Journal of Chemical Physics ◽

10.1063/1.457712 ◽

1990 ◽

Vol 92 (8) ◽

pp. 4948-4955 ◽

Cited By ~ 57

Author(s):

D. Frye ◽

A. Preiskorn ◽

G. C. Lie ◽

E. Clementi

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Configuration Interaction ◽

Energy Surface ◽

Gaussian Functions ◽

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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Ab initio configuration interaction calculations of the NIs (NO2) core-hole states of p-nitroaniline

Chemical Physics Letters ◽

10.1016/0009-2614(82)80092-4 ◽

1982 ◽

Vol 92 (2) ◽

pp. 141-143 ◽

Cited By ~ 12

Author(s):

P.C. Ford ◽

I.H. Hillier

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Core Hole ◽

Configuration Interaction Calculations

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Emergence of rotational bands in ab initio no-core configuration interaction calculations of light nuclei

Physics Letters B ◽

10.1016/j.physletb.2012.12.064 ◽

2013 ◽

Vol 719 (1-3) ◽

pp. 179-184 ◽

Cited By ~ 25

Author(s):

M.A. Caprio ◽

P. Maris ◽

J.P. Vary

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Light Nuclei ◽

Rotational Bands ◽

Configuration Interaction Calculations

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VI. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL BACTERIOCHLOROPHYLLIDE-a AND ETHYL BACTERIOPHEOPHORBIDE-a

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1980.tb03780.x ◽

1980 ◽

Vol 32 (3) ◽

pp. 399-414 ◽

Cited By ~ 49

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Triplet States ◽

Excited Singlet ◽

Singlet And Triplet States ◽

Stereoelectronic Properties ◽

Configuration Interaction Calculations

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Ab initio configuration interaction study on the energetics and electronic structure of the 1–52Σ+ and 1–32Π states of CS+

Chemical Physics ◽

10.1016/j.chemphys.2005.09.046 ◽

2006 ◽

Vol 324 (2-3) ◽

pp. 413-419 ◽

Cited By ~ 9

Author(s):

Nobumitsu Honjou

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Configuration Interaction ◽

Interaction Study

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