From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems

Thesis/Dissertation · Mon Dec 31 00:00:00 EST 2001

DOI:https://doi.org/10.2172/803098· OSTI ID:803098

Freitag, Mark A. ^[1]

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1. Iowa State Univ., Ames, IA (United States)

The major title of this dissertation, 'From first principles,' is a phase often heard in the study of thermodynamics and quantum mechanics. These words embody a powerful idea in the physical sciences; namely, that it is possible to distill the complexities of nature into a set of simple, well defined mathematical laws from which specific relations can then be derived . In thermodynamics, these fundamental laws are immediately familiar to the physical scientist by their numerical order: the First, Second and Third Laws. However, the subject of the present volume is quantum mechanics-specifically, non-relativistic quantum mechanics, which is appropriate for most systems of chemical interest.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: W-7405-Eng-82
• OSTI ID: 803098
• Report Number(s): IS-T 2049; TRN: US200302%%74
• Resource Relation: Other Information: TH: Thesis; Thesis information not given; PBD: 31 Dec 2001
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
QUANTUM MECHANICS
MOLECULES
AMES LABORATORY