Contracted auxiliary Gaussian basis integral and derivative evaluation.

Contracted auxiliary Gaussian basis integral and derivative evaluation.

Item
http://www.wikidata.org/entity/Q37328336
Density-functional expansion methods: Grand challengesAn efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh EwaldGaussian Multipole Model (GMM)Atomic forces for geometry-dependent point multipole and gaussian multipole models.Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximationsDensity-functional expansion methods: generalization of the auxiliary basis.Multipolar Ewald methods, 1: theory, accuracy, and performanceHPAM: Hirshfeld Partitioned Atomic MultipolesEfficient treatment of induced dipoles.A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.Spherical tensor gradient operator method for integral rotation: a simple, efficient, and extendable alternative to Slater-Koster tablesAn empirical extrapolation scheme for efficient treatment of induced dipoles.Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals.Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
P2860

Contracted auxiliary Gaussian basis integral and derivative evaluation.

Item
http://www.wikidata.org/entity/Q37328336
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on February 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@en
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@nl
type
label
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@en
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@nl
prefLabel
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@en
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P932
P356
P1433
P1476
Contracted auxiliary Gaussian basis integral and derivative evaluation.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P932