First-principles path-integral renormalization-group method for Coulombic many-body systems

Journal Article · Thu Oct 15 00:00:00 EDT 2009 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.80.042515· OSTI ID:21316401

Kojo, Masashi; Hirose, Kikuji ^[1]

---

1. Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

An approach for obtaining the ground state of Coulombic many-body systems is presented. This approach is based on the path-integral renormalization-group method with nonorthogonal Slater determinants, is free of the negative sign problem, and can handle higher dimensional systems with consideration of the correlation effect. Furthermore, it can be easily extended to the multicomponent quantum systems that contain more than two kinds of quantum particles. According to our results obtained with the present approach, it achieves the same accuracy as the variational Monte Carlo method with a few Slater determinants and enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation.

• OSTI ID: 21316401
• Journal Information: Physical Review. A, Vol. 80, Issue 4; Other Information: DOI: 10.1103/PhysRevA.80.042515; (c) 2009 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
ACCURACY
BORN-OPPENHEIMER APPROXIMATION
ELECTRON CORRELATION
ELECTRONS
GROUND STATES
MANY-BODY PROBLEM
MONTE CARLO METHOD
NUCLEI
PATH INTEGRALS
RENORMALIZATION
SLATER METHOD
VARIATIONAL METHODS