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Molecular Quantum Mechanics

Tác giả: Atkins, P W

Quantum mechanics embraces the behaviour of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, unravelling those fundamental physical principles...

Atoms in molecules : a quantum theory

Tác giả: Bader, Richard F W

This monograph is to show that a theory can be developed to underpin the molecular structure hypothesis that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics.

Quantum chemistry: 7th ed.

Tác giả: Ira N Levine

This books covers quantum mechanics, atomic structure, and molecular electronic structure, and provides a thorough, unintimidating treatment of operators, differential equations, simultaneous linear equations, and other areas of required math.

Quantum mechanics in chemistry

Tác giả: George C Schatz, Mark A Ratner

Introduces basic formalism of time dependent quantum mechanics and occupation number representations, focuses on scattering theory uses its concepts to develop basic theories of chemical reaction rates, and more.

Modern quantum chemistry: Introduction to advanced electronic structure theory

Tác giả: Attila Szabo, Neil S Ostlund

The aim of this graduate level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of...