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Novel implementation of seniority number truncated valence bond methods with applications to H22 chain

2019 ◽  
Vol 151 (19) ◽  
pp. 194107 ◽  
Author(s):  
Chen Zhou ◽  
Chenyu Zeng ◽  
Bo Ma ◽  
Fuming Ying ◽  
Zhenhua Chen ◽  
...  
Keyword(s):  
Valence Bond ◽  
Seniority Number

Reciprocal transformation of seniority number restricted wave function

2018 ◽  
Vol 149 (4) ◽  
pp. 044111 ◽  
Author(s):  
Chen Zhou ◽  
Zhenhua Chen ◽  
Wei Wu
Keyword(s):  
Wave Function ◽  
Reciprocal Transformation ◽  
Seniority Number

scholarly journals Generalization of the concepts of seniority number and ionicity

2018 ◽  
Vol 56 (5) ◽  
pp. 1428-1436 ◽  
Author(s):  
Thomas Perez ◽  
Patrick Cassam-Chenaï
Keyword(s):  
Seniority Number

scholarly journals Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2

2015 ◽  
Vol 143 (9) ◽  
pp. 094105 ◽  
Author(s):  
Laimutis Bytautas ◽  
Gustavo E. Scuseria ◽  
Klaus Ruedenberg
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Energy Surfaces ◽  
Seniority Number

Seniority Number in Valence Bond Theory

2015 ◽  
Vol 11 (9) ◽  
pp. 4102-4108 ◽  
Author(s):  
Zhenhua Chen ◽  
Chen Zhou ◽  
Wei Wu
Keyword(s):  
Valence Bond ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Seniority Number

A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach

2015 ◽  
pp. 115-121
Author(s):  
Luis Lain ◽  
Alicia Torre ◽  
Diego R. Alcoba ◽  
Ofelia B. Oña ◽  
Gustavo E. Massaccesi
Keyword(s):  
Shannon Entropy ◽  
Wave Functions ◽  
Seniority Number

A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach

2015 ◽  
Vol 134 (7) ◽  
Author(s):  
Luis Lain ◽  
Alicia Torre ◽  
Diego R. Alcoba ◽  
Ofelia B. Oña ◽  
Gustavo E. Massaccesi
Keyword(s):  
Shannon Entropy ◽  
Wave Functions ◽  
Seniority Number

scholarly journals A hybrid configuration interaction treatment based on seniority number and excitation schemes

2014 ◽  
Vol 141 (24) ◽  
pp. 244118 ◽  
Author(s):  
Diego R. Alcoba ◽  
Alicia Torre ◽  
Luis Lain ◽  
Ofelia B. Oña ◽  
Pablo Capuzzi ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Interaction Treatment ◽  
Hybrid Configuration ◽  
Seniority Number

scholarly journals Configuration interaction wave functions: A seniority number approach

2014 ◽  
Vol 140 (23) ◽  
pp. 234103 ◽  
Author(s):  
Diego R. Alcoba ◽  
Alicia Torre ◽  
Luis Lain ◽  
Gustavo E. Massaccesi ◽  
Ofelia B. Oña
Keyword(s):  
Configuration Interaction ◽  
Wave Functions ◽  
Seniority Number

scholarly journals Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions

2013 ◽  
Vol 139 (8) ◽  
pp. 084103 ◽  
Author(s):  
Diego R. Alcoba ◽  
Alicia Torre ◽  
Luis Lain ◽  
Gustavo E. Massaccesi ◽  
Ofelia B. Oña
Keyword(s):  
Configuration Interaction ◽  
Wave Functions ◽  
Seniority Number
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