about
Auxiliary basis expansions for large-scale electronic structure calculations.Contracted auxiliary Gaussian basis integral and derivative evaluation.Size-dependent properties of transition metal clusters: from molecules to crystals and surfaces--computational studies with the program ParaGauss.Intracule functional models. II. Analytically integrable kernels.Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals.A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions.Efficient evaluation of three-center Coulomb integrals.Iterative stochastic subspace self-consistent field method.Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations.Efficient calculation of integrals in mixed ramp-Gaussian basis sets.Basis functions for electronic structure calculations on spheres.An algorithm for the efficient evaluation of two-electron repulsion integrals over contracted Gaussian-type basis functions.Resolutions of the Coulomb operator. VI. Computation of auxiliary integrals.The van der Waals interactions in rare-gas dimers: the role of interparticle interactions.Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems.A generalized Poisson equation and short-range self-interaction energies.The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques.An efficient approach for self-consistent-field energy and energy second derivatives in the atomic-orbital basis.Linear scaling computation of the Fock matrix. V. Hierarchical Cubature for numerical integration of the exchange-correlation matrixFast assembly of the Coulomb matrix: A quantum chemical tree codeLinear scaling computation of the Fock matrixLinear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrixA mathematical and computational review of Hartree–Fock SCF methods in quantum chemistryLong-range effects in optimizing the geometry of stereoregular polymers?IV: Explicit determination of the helical angleComputation and analysis of molecular Hartree—Fock momentum intraculesUniform electron gases. III. Low-density gases on three-dimensional spheres
P2860
Q33784336-B1DCEAD7-8077-4C07-8F10-BB57F82D25C3Q37328336-ECAA4D99-64F0-4D89-84C5-14F7619EA968Q38604653-33AF580A-066F-468E-92AD-B9216E90B713Q40164224-9375E521-83B2-48FB-827F-B05EA3B0899CQ44143415-C6D351C0-C345-43B3-859B-C9A8B27FABF1Q46966567-1B24FE92-FD99-4631-BB13-F0AEADAE589DQ47821178-0319B7A8-E608-4E5E-8473-8E308F5C8ADCQ47862251-DF2DF926-820F-4CF9-99D7-70E70C1E0ED1Q48120547-B8C65F83-C1CB-4172-A7DD-A7B852DB0499Q50934879-C23AE206-A617-4B31-9C3D-7BC505BEA9F4Q50986447-6F4DA062-B42D-4F81-869E-ED1C722C6575Q51284961-64273F2C-4D93-4C90-A5D5-6A92E075581AQ51401082-009808E1-F95D-4A63-8DA5-0ED8E33CF638Q51572811-2FA2759E-B62D-480F-A9C0-DF6BD6CCE2EDQ51640555-9098006C-38BD-4456-9664-57B56DC4085FQ51873705-F3CD841E-FDE7-4FCD-A2DD-C3C42C981FEEQ51920954-A22DD714-FE1D-4DCE-BF23-B1AA2E65374AQ51959047-7D84345E-5E4F-4FA8-B895-FBF43F839719Q56775984-449E218A-38AA-4820-9419-0A1A6F97CFA9Q56776312-72498B63-FEE9-4207-B897-84C87BA9EE3CQ56776325-93BB0ADA-BB68-4D02-948D-14021C03C510Q56776365-B7A91AB7-7D3C-4237-9C0E-139846F8E79AQ56903586-CD776741-3EE9-46FF-A208-C0F2CAF11ACEQ57771492-E984692C-6B17-456F-999D-FEC06F2F2A56Q58508384-8C1B7DEB-4B5E-40BC-9286-E94AC259D4BCQ58739449-0FEC0D10-6777-498C-B8FD-04F68D5790E4
P2860
description
im Jahr 1994 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в 1994
@uk
name
Molecular integrals Over Gaussian Basis Functions
@en
Molecular integrals Over Gaussian Basis Functions
@nl
type
label
Molecular integrals Over Gaussian Basis Functions
@en
Molecular integrals Over Gaussian Basis Functions
@nl
prefLabel
Molecular integrals Over Gaussian Basis Functions
@en
Molecular integrals Over Gaussian Basis Functions
@nl
P1476
Molecular integrals Over Gaussian Basis Functions
@en
P2093
Peter M.W. Gill
P304
P356
10.1016/S0065-3276(08)60019-2
P577
1994-01-01T00:00:00Z