XVIth International Workshop on
Quantum Systems in
Chemistry and Physics
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Variational path integral molecular dynamics method applied to molecular systems
Shinichi Miura
School of Mathematics and Physics, Kanazawa University, Kakuma, Kanazawa 920-1192, Japan
Variational path integral is a method to numerically generate the exact ground state of many-body systems [1]. Recently, the author has developed a molecular dynamics algorithm for the variational path integral calculation [2-5], which is called the variational path integral molecular dynamics (VPIMD) method. In my talk, some applications of VPIMD to molecular systems will be presented.

References
[1] D. Ceperley, Rev. Mod. Phys. 64, 279 (1995).
[2] S. Miura, Chem. Phys. Lett. 482, 165 (2009).
[3] S. Miura, Comp. Phys. Commu. 182, 274 (2011).
[4] S. Miura, Mol. Simu. (in press).
[5] S. Miura, the ACS Symposium Series “Advances in Quantum Monte Carlo” (in press).


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