Electron correlation in molecules -- ab initio beyond Gaussian quantum chemistry

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Bibliographic Details
Other Authors: Hoggan, Philip E., (Editor), Ozdogan, Telhat, (Editor)
Format: eBook
Language: English
Published: Cambridge, MA : Academic Press is an imprint of Elsevier, 2016.
Series: Advances in quantum chemistry ; volume 73.
Subjects:
Quantum chemistry.
Electrons.
elektronické knihy
electronic books
ISBN: 9780128030615
0128030615
9780128030608
0128030607
Physical Description: 1 online resource.

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008 160202s2016 mau o 001 0 eng d
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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 
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. 
506 |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty 
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;́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> 
590 |a Knovel  |b Knovel (All titles) 
650 0 |a Quantum chemistry. 
650 0 |a Electrons. 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 9 |a electronic books  |2 eczenas 
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://proxy.k.utb.cz/login?url=https://app.knovel.com/hotlink/toc/id:kpAQCECMA1/advances-in-quantum?kpromoter=marc  |y Full text 

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