Description |
1 online resource. |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
Series |
Advances in quantum chemistry ; volume 73 |
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Advances in quantum chemistry ; volume 73.
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Note |
Includes index. |
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Online resource; title from PDF title page (ScienceDirect, viewed February 17, 2016). |
Summary |
Annotation This title presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. |
Contents |
<Ol> <ol><b><li>A Sturmian Approach to Photoionization of Molecules</li> <p><li>General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non Coulombic Systems</li> <p><li>Exponentially Correlated Wave Functions for Four-Body Systems</li> <p><li>Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions</li> <p><li>Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems</li> <p><li>An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multi-Centre Integrals Involving 1s Slater Type Orbitals</li> <p><li>Size-extensivity Corrections in Single- and Multi-Reference Configuration Interaction Calculations</li> <p><li>Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (Mo) Equation</li> <p><li>Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree-Fock-Roothaan Method, Applications to Atoms 2 #x89;Þ <i>Z</i> #x89;Þ 10 </li> <p><li>Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater Type Orbitals using Fourier Transforms</li> <p><li>Excitation Energies of Molecules from Ensemble Density Functional Theory. Multi-Configuration Approaches</li> <p><li>Application of the Space-Pseudo-Time Method to Density Functional Theory</li> <p><li>Potential Energy Curves of NaK Molecule from all-Electrons Multireference Coupled Cluster Calculations</li> <p><li>The Correlation Effects in Density Functional Theory Along the Dissociation Path</li> <p><li>Introduction to the Variational and Diffusion Monte Carlo Methods</li> <p><li>Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions</li> <p><li>X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localisation</li> <p><li>Electron Impact Atomic and Ionic Ionization: Analytical, Semi-Empirical and Semiclassical Methods</li> </ol></ol></b> |
Subject |
Quantum chemistry.
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Electrons.
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Chimie quantique.
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Électrons.
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Electrons
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Quantum chemistry
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Genre/Form |
Electronic book.
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Electronic book.
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Added Author |
Hoggan, Philip E., editor.
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Ozdogan, Telhat, editor.
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ISBN |
9780128030615 (electronic bk.) |
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0128030615 (electronic bk.) |
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9780128030608 |
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0128030607 |
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9780128030608 |
Standard No. |
9780128030608 |
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AU@ 000057085119 |
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GBVCP 879390719 |
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UKMGB 017775705 |
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AU@ 000073102938 |
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