A New Method for Determining Configuration Interaction Wave Functions for the Electronic States of Atoms and Molecules: The Vector Method

1977 ◽  
pp. 319-338 ◽  
Author(s):  
R. F. Hausman ◽  
C. F. Bender
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Wave Functions ◽  
New Method ◽  
Vector Method ◽  
Atoms And Molecules

A new technique for describing the electronic states of atoms and molecules — The vector method

1975 ◽  
Vol 32 (3) ◽  
pp. 483-488 ◽  
Author(s):  
R.F. Hausman ◽  
S.D. Bloom ◽  
C.F. Bender
Keyword(s):  
Electronic States ◽  
New Technique ◽  
Vector Method ◽  
Atoms And Molecules ◽  
A New Technique

Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide

2003 ◽  
Vol 107 (1) ◽  
pp. 148-158 ◽  
Author(s):  
Surya Chattopadhyaya ◽  
Anjan Chattopadhyay ◽  
Kalyan Kumar Das
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Silicon Monoxide ◽  
Interaction Study

Spectroscopic properties of theX 1Σ+anda 3Π electronic states of CF+, SiF+, and CCl+by multireference configuration interaction

1990 ◽  
Vol 93 (3) ◽  
pp. 1889-1894 ◽  
Author(s):  
Kirk A. Peterson ◽  
R. Claude Woods ◽  
Pavel Rosmus ◽  
Hans‐Joachim Werner
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Spectroscopic Properties

Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules

2002 ◽  
Vol 116 (4) ◽  
pp. 1250-1258 ◽  
Author(s):  
R. Pollet ◽  
A. Savin ◽  
T. Leininger ◽  
H. Stoll
Keyword(s):  
Wave Functions ◽  
Density Functionals ◽  
Atoms And Molecules ◽  
Near Degeneracy

scholarly journals Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo

2018 ◽  
Vol 14 (8) ◽  
pp. 4176-4182 ◽  
Author(s):  
Monika Dash ◽  
Saverio Moroni ◽  
Anthony Scemama ◽  
Claudia Filippi
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Geometry Optimization ◽  
Wave Functions

Accurate spectroscopic constants of the lowest three electronic states in halonitrenes with multireference configuration interaction

2018 ◽  
Vol 118 (16) ◽  
pp. e25649 ◽  
Author(s):  
Shimin Shan ◽  
Shuang Yin ◽  
Yi Lian ◽  
Haifeng Xu ◽  
Bing Yan
Keyword(s):  
Configuration Interaction ◽  
Electronic States ◽  
Spectroscopic Constants
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