(Q58858772)

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Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing

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Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing (English)

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1 reference

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Emily A. Carter

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author name string

Bernd Hartke

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1

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language of work or name

English

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publication date

November 1992

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published in

Journal of Chemical Physics

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volume

97

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issue

9

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page(s)

6569-6578

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cites work

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Spin eigenstate-dependent Hartree—Fock molecular dynamics

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Optimization by Simulated Annealing

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Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

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A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

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Bonding and disorder in liquid silicon.

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Rapid determination of the critical temperature in simulated annealing inversion.

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Electronic and structural properties of sodium clusters.

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Theory of ab initio molecular-dynamics calculations

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Simulated annealing with floating Gaussians: Hellmann-Feynman forces without corrections

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Quantum-chemical molecular dynamics applied to S-P metals

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Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters

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Molecular dynamics simulation of rigid molecules

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21 January 2018

Identifiers

DOI

10.1063/1.463660

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(Q58858772)

Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing

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