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A path integral centroid molecular dynamics method for Bose and Fermi statistics |
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| Authors: | Kenichi Kinugawa Hidemi Nagao Koji Ohta |
| Institution: | a Department of Chemistry, Faculty of Science, Nara Women's University, Nara 630-8506, Japan b Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan c Department of Optical Materials, Osaka National Research Institute, AIST, MITI, Ikeda, Osaka 563-8577, Japan |
| Abstract: | We propose a path integral centroid molecular dynamics (CMD) method extended to Bose and Fermi statistics. An extended method of path integral molecular dynamics (PIMD) for such statistics is also developed as a technique of calculations of static properties. Bose PIMD and CMD simulations have been performed for bulk liquid 4He and ideal Bose gas, respectively. The remnant of λ transition is observed for bulk liquid 4He, while the effect of Bose statistics on the centroid dynamics spanning several nanoseconds is observed for ideal Bose gas. |
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