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An Introduction to Electronic Structure Theory

Engelsk Paperback

An Introduction to Electronic Structure Theory

Engelsk Paperback
Tjek vores konkurrenters priser
In An Introduction to Electronic Structure Theory, Quantum Information Theory is applied to donor-acceptor systems. Reaction stages and charge-transfer phenomena are described, continuities of probability and phase distributions are explored, and resultant information descriptors combining classical and nonclassical contributions are summarized. The authors describe the most efficient method for studying the electronic structure of solids, the magnetic dilution method, or the study of the magnetic susceptibility of diluted solid solutions of paramagnetic oxides in diamagnetic isomorphous matrices. A review of the mathematical modeling and investigation of the electronic structure of some nanomaterials, composite materials, and graphene is presented using the Parameterized Model number 3 (PM3) semi-empirical method. A basic introduction of electronic structure theory with commonly used notation is provided, as well as its applications for studying the physical properties of materials. Lastly, based on a concept of "different prescription for different correlation", a multireference Brillouin-Wigner perturbation scheme with improved virtual orbitals is presented as an accurate and affordable computational protocol for treating electronic states plagued by quasidegeneracy.
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In An Introduction to Electronic Structure Theory, Quantum Information Theory is applied to donor-acceptor systems. Reaction stages and charge-transfer phenomena are described, continuities of probability and phase distributions are explored, and resultant information descriptors combining classical and nonclassical contributions are summarized. The authors describe the most efficient method for studying the electronic structure of solids, the magnetic dilution method, or the study of the magnetic susceptibility of diluted solid solutions of paramagnetic oxides in diamagnetic isomorphous matrices. A review of the mathematical modeling and investigation of the electronic structure of some nanomaterials, composite materials, and graphene is presented using the Parameterized Model number 3 (PM3) semi-empirical method. A basic introduction of electronic structure theory with commonly used notation is provided, as well as its applications for studying the physical properties of materials. Lastly, based on a concept of "different prescription for different correlation", a multireference Brillouin-Wigner perturbation scheme with improved virtual orbitals is presented as an accurate and affordable computational protocol for treating electronic states plagued by quasidegeneracy.
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Se mere i:
Produktdetaljer
Sprog: Engelsk
Sider: 179
ISBN-13: 9781536184112
Indbinding: Paperback
Udgave:
ISBN-10: 153618411X
Kategori: Kemi
Udg. Dato: 18 sep 2020
Længde: 0mm
Bredde: 155mm
Højde: 230mm
Forlag: Nova Science Publishers Inc
Oplagsdato: 18 sep 2020
Forfatter(e):
Forfatter(e)

Kategori Kemi

ISBN-13 9781536184112

Sprog Engelsk

Indbinding Paperback

Sider 179

Udgave

Længde 0mm

Bredde 155mm

Højde 230mm

Udg. Dato 18 sep 2020

Oplagsdato 18 sep 2020

Forlag Nova Science Publishers Inc