Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems

Author:

Kamibayashi Yuki1,Miura Shinichi1

Affiliation:

1. Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192, Japan

Funder

Computational Materials Science Initiative, Japan

Kanazawa University SAKIGAKE Project

Strategic Programs for Innovative Research, MEXT

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference59 articles.

1. Path integrals in the theory of condensed helium

2. Recent Advances in Quantum Monte Carlo Methods, edited by W. A. Lester (World Scientific, Singapore, 1997).

3. Quantum Monte Carlo Methods in Physics and Chemistry, edited by M. P. Nightingale and C. J. Umrigar (Kluwer Academic, Dordrecht, 1999).

4. Quantum Monte Carlo simulations of solids

5. Recent Advances in Quantum Monte Carlo Methods. Part II, edited by W. A. Lester, S. M. Rothstein, and S. Tanaka (World Scientific, Singapore, 2002).

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