Combining perturbation theory techniques with variational CI calculations to study molecular excited states

1986 ◽  
Vol 29 (3) ◽  
pp. 435-460 ◽  
Author(s):  
Robert J. Buenker
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Ci Calculations ◽  
Molecular Excited States

scholarly journals Computation of molecular excited states on IBM quantum computers using a discriminative variational quantum eigensolver

2020 ◽  
Vol 102 (6) ◽  
Author(s):  
Jules Tilly ◽  
Glenn Jones ◽  
Hongxiang Chen ◽  
Leonard Wossnig ◽  
Edward Grant
Keyword(s):  
Excited States ◽  
Quantum Computers ◽  
Molecular Excited States

Low-Lying Excited States of C120 and C151: A Multireference Perturbation Theory Study

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

Excited states of all-trans and 11-cis retinal: All valence-electron SCF-MO-CI calculations

2009 ◽  
Vol 9 (S2) ◽  
pp. 9-24
Author(s):  
Ludwik J. Weimann ◽  
Gerald M. Maggiora ◽  
Paul E. Blatz
Keyword(s):  
Excited States ◽  
Valence Electron ◽  
Ci Calculations

MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states

1985 ◽  
Vol 96 (2) ◽  
pp. 217-225 ◽  
Author(s):  
Giannoula Theodorakopoulos ◽  
Ioannis D. Petsalakis ◽  
Robert J. Buenker
Keyword(s):  
Excited States ◽  
Asymmetric Stretch ◽  
Ci Calculations
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