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。Quantum Monte Carlo ground state energies for the singly charged ions from Li through Ar
P. Maldonado et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials
George H. Booth et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
Deidre Cleland et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Sub-meV accuracy in first-principles computations of the ionization potentials and electron affinities of the atoms H to Ne
Wim Klopper et al.
PHYSICAL REVIEW A (2010)
A priori identification of configurational deadwood
Laimutis Bytautas et al.
CHEMICAL PHYSICS (2009)
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
George H. Booth et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Simplified CCSD(T)-F12 methods: Theory and benchmarks
Gerald Knizia et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-Ar
Kirk A. Peterson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2O compared to full configuration interaction calculations
W. Gyorffy et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
An optimized configuration interaction method for calculating electronic excitations in nanostructures
M. C. Troparevsky et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
A simple F12 geminal correction in multi-reference perturbation theory
Seiichiro Ten-no
CHEMICAL PHYSICS LETTERS (2007)
R12 methods in explicitly correlated molecular electronic structure theory
Wim Klopper et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (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)
Initiation of explicitly correlated Slater-type geminal theory
S Ten-No
CHEMICAL PHYSICS LETTERS (2004)
Quantum Monte Carlo method using phase-free random walks with slater determinants
SW Zhang et al.
PHYSICAL REVIEW LETTERS (2003)