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Electron correlation in molecules -- ab initio beyond Gaussian quantum chemistry /
Annotation
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cambridge, MA :
Academic Press is an imprint of Elsevier,
2016.
|
| Colección: | Advances in quantum chemistry ;
volume 73. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
MARC
| LEADER | 00000cam a2200000Ii 4500 | ||
|---|---|---|---|
| 001 | SCIDIR_ocn936379393 | ||
| 003 | OCoLC | ||
| 005 | 20231120112049.0 | ||
| 006 | m o d | ||
| 007 | cr cnu|||unuuu | ||
| 008 | 160202s2016 mau o 001 0 eng d | ||
| 040 | |a N$T |b eng |e rda |e pn |c N$T |d YDXCP |d IDEBK |d EBLCP |d OPELS |d N$T |d CDX |d OCLCF |d REB |d NLE |d KNOVL |d STF |d S4S |d COO |d OCLCQ |d DEBBG |d MERER |d OCLCQ |d DKU |d D6H |d RRP |d OCLCQ |d AU@ |d UKMGB |d WYU |d OCLCQ |d OCLCO |d OCLCQ |d OCLCO | ||
| 015 | |a GBB6H9672 |2 bnb | ||
| 016 | 7 | |a 017775705 |2 Uk | |
| 019 | |a 945765532 |a 1066527682 | ||
| 020 | |a 9780128030615 |q (electronic bk.) | ||
| 020 | |a 0128030615 |q (electronic bk.) | ||
| 020 | |z 9780128030608 | ||
| 020 | |a 0128030607 | ||
| 020 | |a 9780128030608 | ||
| 024 | 3 | |a 9780128030608 | |
| 035 | |a (OCoLC)936379393 |z (OCoLC)945765532 |z (OCoLC)1066527682 | ||
| 050 | 4 | |a QD462 | |
| 072 | 7 | |a SCI |x 013050 |2 bisacsh | |
| 082 | 0 | 4 | |a 541/.28 |2 23 |
| 245 | 0 | 0 | |a Electron correlation in molecules -- ab initio beyond Gaussian quantum chemistry / |c edited by Philip E. Hoggan and Telhat Ozdogan. |
| 264 | 1 | |a Cambridge, MA : |b Academic Press is an imprint of Elsevier, |c 2016. | |
| 300 | |a 1 online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Advances in quantum chemistry ; |v volume 73 | |
| 500 | |a Includes index. | ||
| 588 | 0 | |a Online resource; title from PDF title page (ScienceDirect, viewed February 17, 2016). | |
| 520 | 8 | |a Annotation |b 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. | |
| 505 | 0 | |a <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�;� <i>Z</i> #x89�;� 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> | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 0 | |a Electrons. | |
| 650 | 6 | |a Chimie quantique. |0 (CaQQLa)201-0045730 | |
| 650 | 6 | |a �Electrons. |0 (CaQQLa)201-0004714 | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Physical & Theoretical. |2 bisacsh | |
| 650 | 7 | |a Electrons |2 fast |0 (OCoLC)fst00907642 | |
| 650 | 7 | |a Quantum chemistry |2 fast |0 (OCoLC)fst01085086 | |
| 700 | 1 | |a Hoggan, Philip E., |e editor. | |
| 700 | 1 | |a Ozdogan, Telhat, |e editor. | |
| 830 | 0 | |a Advances in quantum chemistry ; |v volume 73. | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780128030608 |z Texto completo |
| 856 | 4 | |u https://sciencedirect.uam.elogim.com/science/bookseries/00653276/73 |z Texto completo | |