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Progress in Theoretical Chemistry and Physics

Volumn 22, Issue , 2012, Pages 343-351

Quantum Monte Carlo Calculations of Electronic Excitation Energies: The Case of the Singlet n→π∗ (CO) Transition in Acrolein

(5) Toulouse, Julien a Caffarel, Michel b Reinhardt, Peter a Hoggan, Philip E c Umrigar, C J d

a LABORATOIRE DE CHIMIE THÉORIQUE (France)

b UNIVERSITÉ DE TOULOUSE (France)

c CNRS (France)

d Laboratory of Atomic and Solid State Physics and Cornell Center for Materials Research (United States)

Author keywords

Diffusion Monte Carlo; Quantum Monte Carlo; Slater Basis; Trial Wave Function; Vertical Excitation Energy

Indexed keywords

EID: 84891601566 PISSN: 15677354 EISSN: 22150129 Source Type: Book Series
DOI: 10.1007/978-94-007-2076-3_19 Document Type: Chapter

Times cited : (13)

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