Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme.
about
The random phase approximation applied to ice.Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.The nature of excess electrons in anatase and rutile from hybrid DFT and RPA.Probing the structural and dynamical properties of liquid water with models including non-local electron correlation.A computationally efficient double hybrid density functional based on the random phase approximation.Lattice energies of molecular solids from the random phase approximation with singles corrections.Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.A new era for ab initio molecular crystal lattice energy prediction.Gaussian and plane-wave mixed density fitting for periodic systems.Communication: Finite size correction in periodic coupled cluster theory calculations of solids.MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers.Dispersion interactions in silicon allotropes.Periodic local MP2 method employing orbital specific virtuals.Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.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.Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method.Coupled cluster channels in the homogeneous electron gas.Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid Functional.Range-separated double-hybrid density-functional theory applied to periodic systemsDouble-hybrid density-functional theory applied to molecular crystals
P2860
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P2860
Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@ast
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@en
type
label
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@ast
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@en
prefLabel
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@ast
Electron Correlation in the Co ...... ussian and Plane Waves Scheme.
@en
P356
P1476
Electron Correlation in the Co ...... aussian and Plane Waves Scheme
@en
P2093
Mauro Del Ben
P304
P356
10.1021/CT4002202
P577
2013-05-28T00:00:00Z