Quantum fluctuations sampling by means of classical molecular dynamics

Autores

  • Alexandre Hernandes Barrozo Universidade Estadual de Campinas

Palavras-chave:

Quantum fluctuations, Classical molecular dynamics

Resumo

We study a new method devised to sample the canonical ensemble [H. Dammak et al., Phys. Rev. Lett. 103, 190601 (2009)], which includes quantum fluctuations by means of classical Molecular Dynamics. This method is based on classical stochastic thermostats, except that it uses colored noise, instead of a white one. We show that, although we have excelent results for the harmonic oscillator case, problems arise while studying anharmonic potentials, in which the method sample distributions that are fundamentally incorrect. A suggestion about where is the problem is given, but no solutions until the moment.

Downloads

Não há dados estatísticos.

Biografia do Autor

Alexandre Hernandes Barrozo , Universidade Estadual de Campinas

Universidade Estadual de Campinas

Downloads

Como Citar

BARROZO , A. H. . Quantum fluctuations sampling by means of classical molecular dynamics . Physicae Proceedings, Campinas, SP, v. 1, n. 1, p. 1–1, 2020. Disponível em: https://econtents.bc.unicamp.br/eventos/index.php/phyproceedings/article/view/3237. Acesso em: 1 fev. 2023.