𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical studies of magnetization by ab initio path integral method

✍ 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

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Finite temperature ab initio calculation
✍ H. Kawabe; K. Kodama; H. Nagao; K. Nishikawa πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 156 KB

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

Theoretical studies of second hyperpolar
✍ Hidemi Nagao; Koji Ohta; Masayoshi Nakano; Kizashi Yamaguchi πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 215 KB

Explicit expressions of polarizability and hyperpolarizability are formulated by a path integral method in terms of the generalized coherent states of the Thouless parametrization. A novel scheme is shown for calculating the molecular properties including total energy, and the Monte Carlo method usi