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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Relativistic Effects in Chemistry - Theory and Techniques Part A (Hardcover, Part A)
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Relativistic Effects in Chemistry - Theory and Techniques Part A (Hardcover, Part A)
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E = mc2 and the Periodic Table . . .
RELATIVISTIC EFFECTS IN CHEMISTRY
This century's most famous equation, Einstein's special theory of
relativity, transformed our comprehension of the nature of time and
matter. Today, making use of the theory in a relativistic analysis
of heavy molecules, that is, computing the properties and nature of
electrons, is the work of chemists intent on exploring the
mysteries of minute particles.
The first work of its kind, Relativistic Effects in Chemistry
details the computational and analytical methods used in studying
the relativistic effects in chemical bonding as well as the
spectroscopic properties of molecules containing very heavy atoms.
The first of two independent volumes, Part A: Theory and Techniques
describes the basic techniques of relativistic quantum chemistry.
Its systematic five-part format begins with a detailed exposition
of Einstein's special theory of relativity, the significance of
relativity in chemistry, and the nature of relativistic effects,
especially with molecules containing both main group atoms and
transition metal atoms.
Chapter 3 discusses the fundamentals of relativistic quantum
mechanics starting from the Klein-Gordon equation through such
advanced constructs as the Breit-Pauli and Dirac multielectron
Hamiltonian. Modern computational techniques, of importance with
problems involving very heavy molecules, are outlined in Chapter 4.
These include the relativistic effective core potentials, ab initio
CASSCF, CI, and RCI techniques. Chapter 5 describes relativistic
symmetry using the double group symmetry of molecules and the
classification of relativistic electronic states and is of special
importanceto chemists or spectroscopists interested in computing or
analyzing electronic states of molecules containing very heavy
atoms.
An exceptional introduction to one of chemistry's foremost
analytical techniques, Relativistic Effects in Chemistry is also
evidence of the still unending reverberations of Einstein's
revolutionary theory.
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