Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.
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Probing the structural and dynamical properties of liquid water with models including non-local electron correlation.Calculating free energies of organic molecules on insulating substratesPreface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces.Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units.MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers.High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane.Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid Functional.Analytic Interatomic Forces in the Random Phase Approximation.
P2860
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P2860
Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.
description
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name
Forces and stress in second or ...... sian and plane waves approach.
@en
Forces and stress in second or ...... sian and plane waves approach.
@nl
type
label
Forces and stress in second or ...... sian and plane waves approach.
@en
Forces and stress in second or ...... sian and plane waves approach.
@nl
prefLabel
Forces and stress in second or ...... sian and plane waves approach.
@en
Forces and stress in second or ...... sian and plane waves approach.
@nl
P2860
P356
P1476
Forces and stress in second or ...... sian and plane waves approach.
@en
P2093
Mauro Del Ben
P2860
P304
P356
10.1063/1.4919238
P407
P577
2015-09-01T00:00:00Z