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Molecular integrals Over Gaussian Basis Functions
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instance of
scholarly article
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title
Molecular integrals Over Gaussian Basis Functions
(English)
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author name string
Peter M.W. Gill
series ordinal
1
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publication date
1994
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published in
Advances in Quantum Chemistry
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page(s)
141-205
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cites work
Quantisierung als Eigenwertproblem
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The Theory of Complex Spectra
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The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods
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The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part II. Some Results and Discussion
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Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems
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Inhomogeneous Electron Gas
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Self-Consistent Equations Including Exchange and Correlation Effects
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https://api.crossref.org/works/10.1016%2FS0065-3276%2808%2960019-2
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The calculation of atomic fields
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Note on Exchange Phenomena in the Thomas Atom
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A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I
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A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II
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Electron interaction in unsaturated hydrocarbons
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Ground states of molecules. 38. The MNDO method. Approximations and parameters
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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
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Optimization of parameters for semiempirical methods II. Applications
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Atomic Shielding Constants
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Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals
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Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System
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Basis set selection for molecular calculations
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Ab Initio Computations in Atoms and Molecules
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Towards numerical solutions of the Schrödinger equation for diatomic molecules.
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Completely numerical calculations on diatomic molecules in the local-density approximation
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An all‐electron numerical method for solving the local density functional for polyatomic molecules
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https://api.crossref.org/works/10.1016%2FS0065-3276%2808%2960019-2
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Gaussian-Expansion Methods for Molecular Integrals
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https://api.crossref.org/works/10.1016%2FS0065-3276%2808%2960019-2
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Computation of electron repulsion integrals involving contracted Gaussian basis functions
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One- and two-electron integrals over cartesian gaussian functions
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Efficient recursive computation of molecular integrals over Cartesian Gaussian functions
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An efficient method of implementing the horizontal recurrence relation in the evaluation of electron repulsion integrals using Cartesian Gaussian functios
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On the evaluation of derivatives of Gaussian integrals
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The prism algorithm for two-electron integrals
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https://api.crossref.org/works/10.1016%2FS0065-3276%2808%2960019-2
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Direct calculation of electron density in density-functional theory
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Large scale electronic structure calculations
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https://api.crossref.org/works/10.1016%2FS0065-3276%2808%2960019-2
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Evaluation of electron repulsion integrals over gaussian lobe basis functions
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Identifiers
DOI
10.1016/S0065-3276(08)60019-2
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