State-specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2,and N2

2015 ◽  
Vol 36 (12) ◽  
pp. 907-925 ◽  
Author(s):  
Sudip Chattopadhyay ◽  
Rajat K. Chaudhuri ◽  
Uttam Sinha Mahapatra
Keyword(s):  
Perturbation Theory ◽  
Ground State ◽  
Multireference Perturbation Theory ◽  
Virtual Orbitals

scholarly journals Intruder states in multireference perturbation theory: The ground state of manganese dimer

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pp. 468-478 ◽  
Author(s):  
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Henryk A. Witek ◽  
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Keyword(s):  
Perturbation Theory ◽  
Ground State ◽  
Multireference Perturbation Theory ◽  
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Multireference perturbation theory can predict a false ground state

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Henryk A. Witek
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Multireference perturbation theory with improved virtual orbitals for radicals: More degeneracies, more problems

2018 ◽  
Vol 119 (4) ◽  
pp. e25776 ◽  
Author(s):  
Suvonil Sinha Ray ◽  
Shovan Manna ◽  
Anirban Ghosh ◽  
Rajat K. Chaudhuri ◽  
Sudip Chattopadhyay
Keyword(s):  
Perturbation Theory ◽  
Multireference Perturbation Theory ◽  
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Low-Lying Excited States of C120 and C151: A Multireference Perturbation Theory Study

2010 ◽  
Vol 114 (47) ◽  
pp. 12363-12368 ◽  
Author(s):  
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Yukio Kawashima ◽  
Haruyuki Nakano
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Multireference Perturbation Theory
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