Explicitly correlated wave functions in quantum Monte Carlo

• Autorzy: Bressani D. , Morosi G. , Tarasco S.
• Języki publikacji: EN

Abstrakty

EN

The use of explicitly correlated wave functions in conjunction with Variational and Diffusion Monte Carlo techniques is reviewed. The functional forms investigated are explicitly correlated exponentials, exponentials of Pade's approximants, Jastrow functions and the product of determinants and a correlation factor. Results for four and six electron systems, namely the anions Li- and B-, are presented.

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2003
• Tom: Vol. 9, nr 1-2
• Strony: 11--22
• Opis fizyczny: Bibliogr. 31 poz.

Twórcy

autor

Bressani D.

• Dipartimento di Scienze Chimiche, Fisiche e Matematiche, Universita' dell 'Insubria, via Ludni 3, 22100 Como, Italy

autor

Morosi G.

• Dipartimento di Scienze Chimiche, Fisiche e Matematiche, Universita' dell 'Insubria, via Ludni 3, 22100 Como, Italy

autor

Tarasco S.

• Dipartimento di Scienze Chimiche, Fisiche e Matematiche, Universita' dell 'Insubria, via Ludni 3, 22100 Como, Italy

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