Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B

Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B, presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biologyFeatures detailed reviews written by leading international researchers INDICE: Contributions include: Finite Temperature Quantum Effects in Many-body Systems by Classical Methods   Jim Dufty Large-scale path-integral molecular dynamics calculations driven by orbital-free DFT   Keith Runge Toward a Coupled-Cluster Electron Nuclear Dynamics Method: Unitary and Non-Unitary Wavefunction Parameterizations for Variational and Generalized-Variational Time-Dependent Schemes   Jorge A. Morales Absorption and emission spectra of anthracene-9-carboxylic acid in solution within the polarizable continuum model: A long-range-corrected time dependent density functional study   William Ernesto Rodríguez Córdoba and Rodrigo Morales-Cueto Novel Numerical Approaches to Solving the Time-Dependent Schrodinger Equation   Barry Schneider Recent progress in the variational approach to atomic and molecular electronic structure   Carlos F. Bunge On the Ground State Structures and Energy Properties of ConPdn (n=1-10) Clusters   Patrizia Calaminici Potential energy curves for the low lying electronic states of KLi with Fock space coupled cluster method   Monika Musial

• ISBN: 978-0-12-803984-7
• Editorial: Academic Press
• Encuadernacion: Cartoné
• Páginas: 312
• Fecha Publicación: 08/01/2016
• Nº Volúmenes: 1
• Idioma: Inglés