A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies.
about
Optimization of numerical orbitals using the Helmholtz kernel.Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets.An auxilliary grid method for the calculation of electrostatic terms in density functional theory on a real-space grid.The grid-based fast multipole method--a massively parallel numerical scheme for calculating two-electron interaction energies.Translation and integration of numerical atomic orbitals in linear molecules.The accuracy of the Gaussian-and-finite-element-Coulomb (GFC) method for the calculation of Coulomb integrals.
P2860
A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh-hant
name
A divide and conquer real-spac ...... ials and interaction energies.
@en
A divide and conquer real-spac ...... ials and interaction energies.
@nl
type
label
A divide and conquer real-spac ...... ials and interaction energies.
@en
A divide and conquer real-spac ...... ials and interaction energies.
@nl
prefLabel
A divide and conquer real-spac ...... ials and interaction energies.
@en
A divide and conquer real-spac ...... ials and interaction energies.
@nl
P2860
P356
P1476
A divide and conquer real-spac ...... ials and interaction energies.
@en
P2093
D Sundholm
S A Losilla
P2860
P304
P356
10.1063/1.4721386
P407
P577
2012-06-01T00:00:00Z