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

Freitag, Mark A.

doi:10.2172/803098

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

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Abstract

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.

Authors:

Freitag, Mark A. ^[1]

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

Publication Date:: Mon Dec 31 00:00:00 EST 2001

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 803098

Report Number(s):: IS-T 2049
TRN: US200302%%74

DOE Contract Number:: W-7405-Eng-82

Resource Type:: Thesis/Dissertation

Resource Relation:: Other Information: TH: Thesis; Thesis information not given; PBD: 31 Dec 2001

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; QUANTUM MECHANICS; MOLECULES; AMES LABORATORY

Citation Formats


                    Freitag, Mark A. From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems.  United States: N. p., 2001. 
        Web.  doi:10.2172/803098.

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                    Freitag, Mark A. From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems.  United States.  https://doi.org/10.2172/803098

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                    Freitag, Mark A. 2001.  
        "From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems".  United States.  https://doi.org/10.2172/803098.  https://www.osti.gov/servlets/purl/803098.

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@article{osti_803098,

  title        = {From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems},

  author       = {Freitag, Mark A.},

  abstractNote = {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.},

  doi          = {10.2172/803098},

  url          = {https://www.osti.gov/biblio/803098},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Dec 31 00:00:00 EST 2001},

  month        = {Mon Dec 31 00:00:00 EST 2001}

}

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