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Elsevier Science

Data premiery:


1 233,75 PLN
Wysyłamy w 35 dni

Opis produktu

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform fourcomponent relativistic calculations for larger molecules. Twocomponent and scalar allelectron relativistic schemes are also becoming part of standard abinitio and density functional program packages for molecules and the solid state. The second volume of this twopart book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic FockSpace Calculations for ManyElectron Atoms Accurate Relativistic Calculations Including QED ParityViolation Effects in Molecules Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules TwoComponent Relativistic Effective Core Potential Calculations for Molecules Relativistic AbInitio Model Potential Calculations for Molecules and Embedded Clusters Relativistic Pseudopotential Calculations for Electronic Excited States Relativistic Effects on NMR Chemical Shifts Relativistic Density Functional Calculations on Small Molecules Quantum Chemistry with the DouglasKrollHess Approach to Relativistic Density Functional Theory and Relativistic Solid State Calculations. 'br''br' Comprehensive publication which focuses on new developments in relativistic quantum electronic structure theory'br' Many leaders from the field of theoretical chemistry have contributed to the TCC series'br' Will no doubt become a standard text for scientists in this field.Together these two volumes give both deep and broad coverage of the field of relativistic electronic structure theory.'br''br' Russell M. Pitzer. The Ohio State University Ohio Ohio USA JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Vol. 126 2004The second book in this twopart series which is part of the Theoretical and Computational Chemistry series.

Data Publikacji: 2004-03-05
Wymiary: 240 mm 165 mm

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