LOJA: Rua Barão de Capanema, 199 | Jardins - Seg. à Sex. das 10h00 às 19h00 - Sábado das 10h00 às 17h00

Livraria | SAC (11) 3068-0121 | LOJA (11) 3256-0577 | Whatsapp (11) 9824-50290 | E-mail freebook@freebook.com.br

Relativistic Electronic Structure Theory, Volume 14

Mais informações

Por: R$ 1.367,00 Em 2x de: R$ 683,50 No boleto: R$ 1.298,65

Comprar
Data Lançamento:
05/02/2015
Prazo de entrega de 70 dias
Consulte aqui o valor do frete e prazo de entrega do produto
Opção de parcelamento via cartão de crédito
  • 1x de R$ 1.367,00 sem juros
  • 2x de R$ 683,50 sem juros
Avalie:

Sinopse

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 four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part 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 Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculationsfor 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 Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations. <br><br>- Comprehensive publication which focuses on new developments in relativistic quantum electron

Ficha técnica

Código de barras:
9780444512994
Dimensões:
24.00cm x 17.00cm x 1.00cm
Marca:
ELSEVIER SCIENCE USA
Idioma:
Inglês
ISBN13:
9780444512994
Número de páginas:
804
Peso:
2.00 kg
Ano de publicação:
2015
Encadernação:
Capa Dura