We develop the path integral method for quantum chemistry, apply the Monte Carlo method to an evaluation of the path integral, and calculate the ensemble average of the energy. For finite temperature, a simple Monte Carlo evaluation of the path integral brings out the negative-sign problem. In this
β¦ LIBER β¦
Theoretical studies of magnetization by ab initio path integral method
β Scribed by Y. Shigeta; T. Kawakami; H. Nagao; K. Yamaguchi
- Book ID
- 117542646
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 213 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0379-6779
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