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 ◽

Author(s):

David Feller ◽

Ernest R. Davidson

Keyword(s):

Ab Initio ◽

Hyperfine Structure ◽

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 ◽

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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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 ◽

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 ◽

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 ◽

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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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 ◽

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 ◽

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 ◽

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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Erratum: Emergence of rotational bands in ab initio no-core configuration interaction calculations of the Be isotopes [Phys. Rev. C 91 , 014310 (2015)]

Physical Review C ◽

10.1103/physrevc.99.029902 ◽

2019 ◽

Vol 99 (2) ◽

Author(s):

P. Maris ◽

M. A. Caprio ◽

J. P. Vary

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Rotational Bands ◽

Configuration Interaction Calculations

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Ground and low‐lying states of FeH+ as derived from ab initio self‐consistent field and configuration interaction calculations

The Journal of Chemical Physics ◽

10.1063/1.456309 ◽

1989 ◽

Vol 90 (11) ◽

pp. 6436-6442 ◽

Author(s):

M. Sodupe ◽

J. M. Lluch ◽

A. Oliva ◽

F. Illas ◽

J. Rubio

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

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 ◽

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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