Handbook of Computational Chemistry

• Corporate Author: SpringerLink (Online service)
• Other Authors: Leszczynski, Jerzy (Editor), Kaczmarek-Kedziera, Anna (Editor), Puzyn, Tomasz (Editor), G. Papadopoulos, Manthos (Editor), Reis, Heribert (Editor), K. Shukla, Manoj (Editor)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Edition: 2nd ed. 2017.
• Subjects: Chemistry.; Chemistry, Physical and theoretical.; Bioinformatics.; Computational biology.; Mathematical physics.; Nanotechnology.; Theoretical and Computational Chemistry.; Computational Biology/Bioinformatics.; Mathematical Applications in the Physical Sciences.; Computer Appl. in Life Sciences.

The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory. Basic assumptions common to the majority of computational methods based on either quantum or statistical mechanics are outlined. Particular attention is paid to the lim...

Table of Contents:

• From the Contents: From Quantum Theory to Computational Chemistry
• Exceptional status of chemistry
• The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics
• Remarks on Wave Function Theory and Methods.