相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C2 singlet states
Wirawan Purwanto et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Eliminating spin contamination in auxiliary-field quantum Monte Carlo:: Realistic potential energy curve of F2
Wirawan Purwanto et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Finite-size correction in many-body electronic structure calculations
Hendra Kwee et al.
PHYSICAL REVIEW LETTERS (2008)
Bond breaking with auxiliary-field quantum monte carlo
W. A. Al-Saidi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules
Malliga Suewattana et al.
PHYSICAL REVIEW B (2007)
A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets
W. A. Al-Saidi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements
W. A. Al-Saidi et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Finite-size error in many-body simulations with long-range interactions
Simone Chiesa et al.
PHYSICAL REVIEW LETTERS (2006)
Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis
W. A. Al-Saidi et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Auxiliary-field quantum monte carlo study of TiO and MnO molecules
WA Al-Saidi et al.
PHYSICAL REVIEW B (2006)
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
Enrique R. Batista et al.
PHYSICAL REVIEW B (2006)
Correlation effects in the ground state of trapped atomic Bose gases
W Purwanto et al.
PHYSICAL REVIEW A (2005)
Quantum simulations of realistic systems by auxiliary fields
SW Zhang et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)
Diamond and β-tin structures of Si studied with quantum Monte Carlo calculations -: art. no. 214102
D Alfè et al.
PHYSICAL REVIEW B (2004)
Quantum Monte Carlo method for the ground state of many-boson systems
W Purwanto et al.
PHYSICAL REVIEW E (2004)
High-pressure phases of group-IV, III-V, and II-VI compounds
A Mujica et al.
REVIEWS OF MODERN PHYSICS (2003)
Quantum Monte Carlo method using phase-free random walks with slater determinants
SW Zhang et al.
PHYSICAL REVIEW LETTERS (2003)
First-principles computation of material properties: the ABINIT software project
X Gonze et al.
COMPUTATIONAL MATERIALS SCIENCE (2002)
Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms
C Lin et al.
PHYSICAL REVIEW E (2001)
Quantum Monte Carlo simulations of solids
WMC Foulkes et al.
REVIEWS OF MODERN PHYSICS (2001)