J-GLOBAL ID:200904088701980186  Research Project code:9800016707 Update date:Dec. 15, 2003

Electronic structure calculation of materials with the quantum Monte Carlo method

Study period:1992 - 2001
Organization (1):
Investigating Researcher (1):
Research overview:
The quantum Monte Carlo method, which deals with electronic structures of materials in continuum space, is one of the first-principles methods of evaluating electronic correlation effect quantitatively beyond the local density approximation. In this study, we develop new computational algorithm for speedy calculation and also formalisms for calculating physical quantities, aiming at wider application of the method.
Keywords (6):
Monte Carlo method ,  electronic structure ,  fast computation ,  fast algorithm ,  electron correlation ,  quantum chemistry
Research program: Ordinary Research
Research budget: 1995: \1,600,000

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