| Description |
1 online resource (267 pages) : illustrations |
|
text file |
| Bibliography |
Includes bibliographical references and index. |
| Contents |
Differential equations -- Propagators and second quantization -- The Huckel model -- Electron field operators -- Angular momentum -- Double-time Green's functions -- The electron propagator -- Electrons in a central potential -- Electron propagator -- The WKB propagator -- The atomic central field problem -- Electron propagator -- Hartree-Fock equations -- Complex spectra -- Single subshell approximation -- Approximate atomic transition amplitudes -- The hydrogen atom -- The carbon and nitrogen atoms -- The excitation propagator -- Antisymmetrized geminal power -- Interaction of radiation and matter -- A charged particle in an electromagnetic field -- Quantization of the radiation field -- Absorption spectroscopy -- RPA transition moments -- Optical rotatory dispersion and circular dichroism -- Temperature-Dependent theory -- Molecules in magnetic fields -- Nuclear spins -- Magnetic susceptibility -- NMR-Spectra -- Indirect nuclear Spin-Spin coupling constants -- Magnetic properties of molecules -- Diamagnetic molecules -- Units and magnitude of magnetic susceptibilities -- Paramagnetic molecules -- NMR spectra and shielding -- NMR spectra and Spin-Spin coupling -- The Origin Problem -- The Gauge Problem -- Calculation of magnetic properties -- An elementary example of NMR spectra -- Paramagnetic molecules -- Electron propagator in higher orders -- Renormalization of the electron propagator -- The 2p-h TDA and the diagonal 2p-h TDA self-energy -- Partitioning and inner projections -- Method of solution. |
| Summary |
The only authoritative reference source on the propagator concept, now thoroughly revised and updated Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry. Advances in computer power and software packages now make it possible to calculate molecular structure, properties, spectra, and reactivity with greater predictive power. Chemical processes, especially under conditions not readily available in the laboratory, can also be much more easily studied via theory and computations. In this environment, the. |
| Language |
English. |
| Subject |
Quantum chemistry.
|
|
Many-body problem.
|
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Chimie quantique. |
|
Problème des N corps. |
|
Many-body problem |
|
Quantum chemistry |
|
Physical & Theoretical Chemistry. |
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Chemistry. |
|
Physical Sciences & Mathematics. |
| Indexed Term |
Physical Chemistry. |
| Added Author |
Öhrn, Yngve.
|
| Other Form: |
Print version: Linderberg, Jan. Propagators in quantum chemistry. 2nd ed. Hoboken, N.J. : John Wiley & Sons, ©2004 0471662577 (DLC) 2003069509 (OCoLC)53926725 |
| ISBN |
0471662577 (cloth) |
|
9780471662570 (cloth) |
|
0471721549 (electronic bk.) |
|
9780471721543 (electronic bk.) |
|
128055696X |
|
9781280556968 |
|
9786610556960 |
|
6610556962 |
|
0471721530 |
|
9780471721536 |
| Standard No. |
10.1002/0471721549 doi |
|
9780471662570 |
|
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