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03435nam a22004335i 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20140310153331.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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| fixed length control field |
cr nn 008mamaa |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
120322s2012 gw | s |||| 0|eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
9783642201806 |
|
978-3-642-20180-6 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD450-801 |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
541.2 |
| Edition number |
23 |
| 264 #1 - |
|---|
| -- |
Berlin, Heidelberg : |
| -- |
Springer Berlin Heidelberg : |
| -- |
Imprint: Springer, |
| -- |
2012. |
| 912 ## - |
|---|
| -- |
ZDB-2-CMS |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Nalewajski, Roman F. |
| Relator term |
author. |
| 245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE |
|---|
| Title |
Perspectives in Electronic Structure Theory |
| Medium |
[electronic resource] / |
| Statement of responsibility, etc |
by Roman F. Nalewajski. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
XIX, 718p. 66 illus. |
| Other physical details |
online resource. |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
Sources -- Mathematical apparatus -- Basic concepts and axioms -- Hydrogen-like atom -- Approximating N-electron Schrödinger equation -- Wave function methods -- Density-Functional Theory -- Bonded subsystems and chemical bonds -- Concepts for chemical reactivity -- Adiabatic coupling between electronic and geometric structures -- Elements of information theory -- Schrödinger equation as information principle -- Electron probabilities as carriers of information in molecules -- Bonded atoms from information theory -- Molecular communication systems -- Orbital communication theory of the chemical bond -- "Thermodynamic" description. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Quantum theory. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Theoretical and Computational Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Solid State Physics. |
|
|---|
| Topical term or geographic name as entry element |
Quantum Physics. |
|
|---|
| Topical term or geographic name as entry element |
Atomic/Molecular Structure and Spectra. |
|
|---|
| Topical term or geographic name as entry element |
Quantum Information Technology, Spintronics. |
| 710 2# - ADDED ENTRY--CORPORATE NAME |
|---|
| Corporate name or jurisdiction name as entry element |
SpringerLink (Online service) |
| 773 0# - HOST ITEM ENTRY |
|---|
| Title |
Springer eBooks |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Display text |
Printed edition: |
| International Standard Book Number |
9783642201790 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Uniform Resource Identifier |
http://dx.doi.org/10.1007/978-3-642-20180-6 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Item type |
E-Book |
