[Download] "Multiconfigurational Quantum Chemistry" by Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov & Per-Olof Widmark " eBook PDF Kindle ePub Free

August 01, 2021

📘 Read Now 📥 Download

eBook details

Title: Multiconfigurational Quantum Chemistry
Author : Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov & Per-Olof Widmark
Release Date : January 03, 2016
Genre: Chemistry,Books,Science & Nature,
Pages : * pages
Size : 18628 KB

Description

The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.