Molecular integrals Over Gaussian Basis Functions (Q56018845)

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7 January 2021

The Theory of Complex Spectra

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7 January 2021

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods

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7 January 2021

The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part II. Some Results and Discussion

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7 January 2021

Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems

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7 January 2021

Inhomogeneous Electron Gas

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7 January 2021

Self-Consistent Equations Including Exchange and Correlation Effects

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7 January 2021

The calculation of atomic fields

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7 January 2021

Note on Exchange Phenomena in the Thomas Atom

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7 January 2021

A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I

1 reference

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7 January 2021

A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II

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7 January 2021

Electron interaction in unsaturated hydrocarbons

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7 January 2021

Ground states of molecules. 38. The MNDO method. Approximations and parameters

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7 January 2021

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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7 January 2021

Optimization of parameters for semiempirical methods II. Applications

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7 January 2021

Atomic Shielding Constants

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7 January 2021

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

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7 January 2021

Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System

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7 January 2021

Basis set selection for molecular calculations

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7 January 2021

Ab Initio Computations in Atoms and Molecules

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7 January 2021

Towards numerical solutions of the Schrödinger equation for diatomic molecules.

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7 January 2021

Completely numerical calculations on diatomic molecules in the local-density approximation

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7 January 2021

An all‐electron numerical method for solving the local density functional for polyatomic molecules

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7 January 2021

Gaussian-Expansion Methods for Molecular Integrals

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7 January 2021

Computation of electron repulsion integrals involving contracted Gaussian basis functions

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7 January 2021

One- and two-electron integrals over cartesian gaussian functions

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7 January 2021

Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

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7 January 2021

An efficient method of implementing the horizontal recurrence relation in the evaluation of electron repulsion integrals using Cartesian Gaussian functios

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7 January 2021

On the evaluation of derivatives of Gaussian integrals

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7 January 2021

The prism algorithm for two-electron integrals

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7 January 2021

Direct calculation of electron density in density-functional theory

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7 January 2021

Large scale electronic structure calculations

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7 January 2021

Evaluation of electron repulsion integrals over gaussian lobe basis functions

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7 January 2021