| Description |
1 online resource. |
|
text txt rdacontent |
|
computer c rdamedia |
|
online resource cr rdacarrier |
| Series |
Advances in quantum chemistry ; volume 73 |
|
Advances in quantum chemistry ; volume 73.
|
| Note |
Includes index. |
|
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.
|
|
Electrons.
|
|
Chimie quantique.
|
|
Électrons.
|
|
SCIENCE -- Chemistry -- Physical & Theoretical.
|
|
Electrons
|
|
Quantum chemistry
|
| Added Author |
Hoggan, Philip E., editor.
|
|
Ozdogan, Telhat, editor.
|
| ISBN |
9780128030615 (electronic bk.) |
|
0128030615 (electronic bk.) |
|
9780128030608 |
|
0128030607 |
|
9780128030608 |
| Standard No. |
9780128030608 |
|
AU@ 000057085119 |
|
GBVCP 879390719 |
|
UKMGB 017775705 |
|
AU@ 000073102938 |
|
