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|a UAMI
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|a Electron correlation in molecules -- ab initio beyond Gaussian quantum chemistry /
|c edited by Philip E. Hoggan and Telhat Ozdogan.
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|a Cambridge, MA :
|b Academic Press is an imprint of Elsevier,
|c 2016.
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|a 1 online resource.
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|a text
|b txt
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|a Advances in quantum chemistry ;
|v volume 73
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|a Includes index.
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|a Online resource; title from PDF title page (ScienceDirect, viewed February 17, 2016).
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|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.
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|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;́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>
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|a Knovel
|b ACADEMIC - Chemistry & Chemical Engineering
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|a Quantum chemistry.
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|a Electrons.
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|a Chimie quantique.
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|a Électrons.
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|a Quantum chemistry
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700 |
1 |
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|a Hoggan, Philip E.,
|e editor.
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700 |
1 |
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|a Ozdogan, Telhat,
|e editor.
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830 |
|
0 |
|a Advances in quantum chemistry ;
|v volume 73.
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856 |
4 |
0 |
|u https://appknovel.uam.elogim.com/kn/resources/kpAQCECMA1/toc
|z Texto completo
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