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。Resonating valence bond wave function with molecular orbitals: Application to first-row molecules
Mariapia Marchi et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Excited states of methylene from quantum Monte Carlo
Paul M. Zimmerman et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Beryllium Dimer-Caught in the Act of Bonding
Jeremy M. Merritt et al.
SCIENCE (2009)
Density functionals with broad applicability in chemistry
Yan Zhao et al.
ACCOUNTS OF CHEMICAL RESEARCH (2008)
Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
Julien Toulouse et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations
Daniel R. Fisher et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Heats of formation of triplet ethylene, ethylidene, and acetylene
Minh Tho Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Manager-worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks
Michael T. Feldmann et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Efficient algorithm for on-the-fly error analysis of local or distributed serially correlated data
David R. Kent et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Quantum Monte Carlo on graphical processing units
Amos G. Anderson et al.
COMPUTER PHYSICS COMMUNICATIONS (2007)
Geminal model chemistry III: Partial spin restriction
Vitaly A. Rassolov et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Energies of the first row atoms from quantum Monte Carlo
M. D. Brown et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Optimization of quantum Monte Carlo wave functions by energy minimization
Julien Toulouse et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Multi-determinant trial functions in the determination of the dissociation energy of the beryllium dimer: Quantum Monte Carlo study
J. A. W. Harkless et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
The methylene saga continues:: Stretching fundamentals and zero-point energy of (X)over-tilde3B1 CH2
Tibor Furtenbacher et al.
JOURNAL OF MOLECULAR STRUCTURE (2006)
Scheme for adding electron-nucleus cusps to Gaussian orbitals
A Ma et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Jastrow correlation factor for atoms, molecules, and solids
ND Drummond et al.
PHYSICAL REVIEW B (2004)
Optimized Jastrow-Slater wave functions for ground and excited states: Application to the lowest states of ethene
F Schautz et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The well-tempered auxiliary-field Monte Carlo
S Jacobi et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
CH2 revisited
A Kalemos et al.
CANADIAN JOURNAL OF CHEMISTRY (2004)
Correlated geminal wave function for molecules: An efficient resonating valence bond approach
M Casula et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Quantum Monte Carlo study of singlet-triplet transition in ethylene
O El Akramine et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Accurate correlation consistent basis sets for molecular core-valence correlation effects: The second row atoms Al-Ar, and the first row atoms B-Ne revisited
KA Peterson et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
P Piecuch et al.
COMPUTER PHYSICS COMMUNICATIONS (2002)
A geminal model chemistry
VA Rassolov
JOURNAL OF CHEMICAL PHYSICS (2002)
Extended benchmark studies of coupled cluster theory through triple excitations
D Feller et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Evidence of triplet ethylene produced from photodissociation of ethylene sulfide
F Qi et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Diffusion Monte Carlo methods with a fixed number of walkers
R Assaraf et al.
PHYSICAL REVIEW E (2000)
A theoretical study of the absorption spectrum of singlet CH2
JP Gu et al.
JOURNAL OF MOLECULAR STRUCTURE (2000)
分享论文
