Response theory and molecular properties (Record no. 20939)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 05281cam a2200649Ia 4500 |
| 001 - CONTROL NUMBER | |
| control field | ocm77536850 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20141103172211.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m o d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr cnu---unuuu |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 070105s2005 ne a ob 111 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | |
| Language of cataloging | eng |
| Description conventions | pn |
| Transcribing agency | N$T |
| Modifying agency | YDXCP |
| -- | OCLCG |
| -- | OCLCQ |
| -- | MERUC |
| -- | OCLCQ |
| -- | IDEBK |
| -- | OCLCQ |
| -- | OPELS |
| -- | OCLCQ |
| -- | OCLCF |
| -- | OCLCQ |
| 019 ## - | |
| -- | 441758892 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0080461719 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780080461717 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0120348500 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780120348503 (electronic bk.) |
| 029 1# - (OCLC) | |
| OCLC library identifier | DEBSZ |
| System control number | 405292805 |
| 029 1# - (OCLC) | |
| OCLC library identifier | YDXCP |
| System control number | 2503816 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)77536850 |
| Canceled/invalid control number | (OCoLC)441758892 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | QD462.A1 |
| Item number | R47 2005eb |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | SCI |
| Subject category code subdivision | 013050 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541/.28 |
| Edition number | 22 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | TEFA |
| 245 00 - TITLE STATEMENT | |
| Title | Response theory and molecular properties |
| Medium | [electronic resource] : |
| Remainder of title | a tribute to Jan Linderberg and Poul J�rgensen / |
| Statement of responsibility, etc. | editors, John R. Sabin, Erkki Bra�ndas ; guest editor, Hans J�rgen Aa. Jensen. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc. | Amsterdam ; |
| -- | Boston : |
| Name of publisher, distributor, etc. | Elsevier Academic Press, |
| Date of publication, distribution, etc. | �2005. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (xxix, 319 pages) : |
| Other physical details | illustrations. |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Content type code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Media type code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Carrier type code | cr |
| Source | rdacarrier |
| 490 1# - SERIES STATEMENT | |
| Series statement | Advances in quantum chemistry, |
| International Standard Serial Number | 0065-3276 ; |
| Volume/sequential designation | v. 50 |
| 500 ## - GENERAL NOTE | |
| General note | Papers presented at a conference held May 5-8, 2004 at Sandbjerg Estate, Denmark. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Jan Linderberg, Scientist, Teacher, Friend -- Poul J�rgensen and His Science -- Multi-Photon Absorption of Molecules -- Two-Bond Spin-Spin Coupling Constants (2hJX-Y) Across X-H-Y Hydrogen Bonds: Some Fundamental Questions -- Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2) -- Angular Symmetry and Hylleraas Coordinates in Four-Body Problems -- The Rotational g Tensor as a Benchmark for Ab Initio Molecular Property Calculations -- Linear Response Properties Required to Simulate Vibrational Spectra of Biomolecules in Various Media: (R)-Phenyloxirane (A Comparative Theoretical and Spectroscopic Vibrational Study) -- A Theoretical Model to Calculate Fundamental Physical Parameters for Molecule-Particle Interactions -- Birefringences: A Challenge for Both Theory and Experiment -- The Ab Initio Calculation of Optical Rotation and Electronic Circular Dichroism -- Response of a Molecule to Adding or Removing an Electron -- A Non-Iterative Numerical Solver of Poisson and Helmholtz Equations Using High-Order Finite-Element Functions -- Some Trends in Relativistic and Electron Correlation Effects in Electric Properties of Small Molecules -- Restricted Density Functional Response Theory for Open-Shell Systems -- The Multiconfigurational Spin-Tensor Electron Propagator Method (MCSTEP). |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy. |
| 588 ## - SOURCE OF DESCRIPTION NOTE | |
| Source of description note | Description based on print version record. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Quantum chemistry |
| Form subdivision | Congresses. |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | SCIENCE |
| General subdivision | Chemistry |
| -- | Physical & Theoretical. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Quantum chemistry. |
| Source of heading or term | fast |
| Authority record control number | (OCoLC)fst01085086 |
| 653 1# - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Response theory |
| 653 1# - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Molecular properties |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 655 #7 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Conference proceedings. |
| Source of term | fast |
| Authority record control number | (OCoLC)fst01423772 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Linderberg, Jan. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | J�rgensen, Poul, |
| Dates associated with a name | 1944- |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Sabin, John R. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Br�andas, Erkki. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jensen, Hans J�rgen Aa. |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Print version: |
| Title | Response theory and molecular properties. |
| Place, publisher, and date of publication | Amsterdam ; Boston : Elsevier Academic Press, �2005 |
| International Standard Book Number | 0120348500 |
| Record control number | (OCoLC)63702392 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Advances in quantum chemistry ; |
| Volume number/sequential designation | v. 50. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Materials specified | ScienceDirect |
| Uniform Resource Identifier | <a href="http://www.sciencedirect.com/science/book/9780120348503">http://www.sciencedirect.com/science/book/9780120348503</a> |
| 938 ## - | |
| -- | EBSCOhost |
| -- | EBSC |
| -- | 166873 |
| 938 ## - | |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | 63042 |
| 938 ## - | |
| -- | YBP Library Services |
| -- | YANK |
| -- | 2503816 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | E(electronic)-Books |
| 994 ## - | |
| -- | C0 |
| -- | TEF |
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