(Q37328336)

19 August 2017

Contracted auxiliary Gaussian basis integral and derivative evaluation (English)

1 reference

19 August 2017

2

Darrin M York

1 reference

19 August 2017

Timothy J Giese

1

1 reference

PMC publication ID

2735875

19 August 2017

language of work or name

English

0 references

publication date

1 February 2008

1 reference

Journal of Chemical Physics

19 August 2017

1 reference

19 August 2017

128

1 reference

19 August 2017

6

1 reference

19 August 2017

064104

1 reference

Gaussian induced dipole polarization model

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Towards a force field based on density fitting

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Intermolecular electrostatic energies using density fitting

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Auxiliary basis expansions for large-scale electronic structure calculations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2735875

Simplified LCAO Method for the Periodic Potential Problem

14 September 2017

1 reference

Accompanying coordinate expansion formulas derived with the solid harmonic gradient.

21 January 2018

1 reference

The fourier transform of a two-center product of exponential-type functions and its efficient evaluation

21 January 2018

1 reference

Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

21 January 2018

1 reference

One- and two-electron integrals over cartesian gaussian functions

21 January 2018

1 reference

A simple algebraic derivation of the Obara-Saika scheme for general two-electron interaction potentials.

21 January 2018

1 reference

Molecular integrals Over Gaussian Basis Functions

21 January 2018

1 reference

Improvement of semiempirical response properties with charge-dependent response density

21 January 2018

1 reference

12 December 2020

Charge-dependent model for many-body polarization, exchange, and dispersion interactions in hybrid quantum mechanical/molecular mechanical calculations

1 reference

12 December 2020

Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonics

1 reference

12 December 2020

Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure

1 reference

12 December 2020

Linear-scaling formation of Kohn-Sham Hamiltonian: Application to the calculation of excitation energies and polarizabilities of large molecular systems

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.2821745

1 reference

19 August 2017

1 reference

PMC publication ID

2735875

19 August 2017

PubMed publication ID

18282025

1 reference

PMC publication ID

2735875