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1990
In the previous section we discussed exact diagonalization studies and concluded that the size of the systems that can be studied are rather limited while complete information on the system can be obtained and the complexity of the Hamiltonian poses no extra problems.
M. Dzierzawa, X. Zotos
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In the previous section we discussed exact diagonalization studies and concluded that the size of the systems that can be studied are rather limited while complete information on the system can be obtained and the complexity of the Hamiltonian poses no extra problems.
M. Dzierzawa, X. Zotos
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Quantum Monte Carlo calculations on Be and LiH
Chemical Physics Letters, 1985Abstract In their first paper in the quantum Monte Carlo area, Harrison and Handy investigated the use of multi-configuration trial wavefunctions and various forms of Jastrow functions in fixednode QMC. Calculations were repeated for the small molecules He, Be2+, Be, and LiH.
Robert W. Harrison, Nicholas C. Handy
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The quantum Monte Carlo method
physica status solidi (b), 2006AbstractQuantum Monte Carlo is an important and complementary alternative to density functional theory when performing computational electronic structure calculations in which high accuracy is required. The method has many attractive features for probing the electronic structure of real atoms, molecules and solids.
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Positron Chemistry by Quantum Monte Carlo
2005Positronic compounds represent a unique family of systems whose chemical and physical properties are tightly related to the correlated motion of positrons and electrons. For this class of systems, standard ab initio quantum chemistry methods are often of little use in computing observables. Starting from this observation, we present quantum Monte Carlo
MELLA, MASSIMO +3 more
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Quantum Monte Carlo and Related Approaches
Chemical Reviews, 2011Dmitry Yu. Zubarev +3 more
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Quantum Monte Carlo guided by quantum computing
Nature Computational Science, 2022openaire +2 more sources
Quantum Monte Carlo Methods: Algorithms for Lattice Models
, 2016J. Gubernatis, N. Kawashima, P. Werner
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