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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.

Computational chemistry workbook : learning through examples

Tác giả: Thomas Heine, Jan Ole Joswig, Achim Gelessus

This textbook contains 16 different examples transforming the theories into applications invarious fields of chemistry. Includes a Live CD with a bootable Linux system and all the necessary programs, while not being restricted to a particular computer code.

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 ...

Quantum chemistry : 2nd ed.

Tác giả: Donald A McQuarrie

This book presents step by step SCF calculations of a helium atom and a hydrogen molecule, in addition to including an entire chapter on the Hartree Fock method and post Hartree Fock methods for the calculation of molecular properties.