Electron correlation in molecules - ab initio beyond gaussian : ab initio beyond Gaussian quantum chemistry /: ab initio beyond Gaussian quantum chemistry. (2016)
- Record Type:
- Book
- Title:
- Electron correlation in molecules - ab initio beyond gaussian : ab initio beyond Gaussian quantum chemistry /: ab initio beyond Gaussian quantum chemistry. (2016)
- Main Title:
- Electron correlation in molecules - ab initio beyond gaussian : ab initio beyond Gaussian quantum chemistry
- Further Information:
- Note: Volume editor, Philip E. Hoggan, Telhat Ozdogan.
- Editors:
- Hoggan, Philip E
Ozdogan, Telhat - Contents:
- A Sturmian Approach to Photoionization of Molecules General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non Coulombic Systems Exponentially Correlated Wave Functions for Four-Body Systems Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multi-Centre Integrals Involving 1s Slater Type Orbitals Size-extensivity Corrections in Single- and Multi-Reference Configuration Interaction Calculations Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (Mo) Equation Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree-Fock-Roothaan Method, Applications to Atoms 2 ≤ Z ≤ 10 Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater Type Orbitals using Fourier Transforms Excitation Energies of Molecules from Ensemble Density Functional Theory. Multi-Configuration Approaches Application of the Space-Pseudo-Time Method to Density Functional Theory Potential Energy Curves of NaK Molecule from all-Electrons Multireference Coupled Cluster Calculations The Correlation Effects in Density Functional Theory Along the Dissociation Path Introduction to the Variational and Diffusion Monte Carlo Methods Configuration Interaction Monte Carlo withA Sturmian Approach to Photoionization of Molecules General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non Coulombic Systems Exponentially Correlated Wave Functions for Four-Body Systems Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multi-Centre Integrals Involving 1s Slater Type Orbitals Size-extensivity Corrections in Single- and Multi-Reference Configuration Interaction Calculations Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (Mo) Equation Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree-Fock-Roothaan Method, Applications to Atoms 2 ≤ Z ≤ 10 Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater Type Orbitals using Fourier Transforms Excitation Energies of Molecules from Ensemble Density Functional Theory. Multi-Configuration Approaches Application of the Space-Pseudo-Time Method to Density Functional Theory Potential Energy Curves of NaK Molecule from all-Electrons Multireference Coupled Cluster Calculations The Correlation Effects in Density Functional Theory Along the Dissociation Path Introduction to the Variational and Diffusion Monte Carlo Methods Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localisation Electron Impact Atomic and Ionic Ionization: Analytical, Semi-Empirical and Semiclassical Methods … (more)
- Publisher Details:
- Amsterdam : Academic Press
- Publication Date:
- 2016
- Extent:
- 1 online resource
- Subjects:
- 541.28
Quantum chemistry - Languages:
- English
- ISBNs:
- 9780128030615
- Related ISBNs:
- 9780128030608
- Notes:
- Note: Description based on CIP data; item not viewed.
- Access Rights:
- Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
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- Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.
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- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library HMNTS - ELD.DS.47451
- Ingest File:
- 02_082.xml