000			05475nam a22004935i 4500
001			978-0-387-73470-5
003			DE-He213
005			20250710084017.0
007			cr nn 008mamaa
008			100715s2008 xxu| s |||| 0|eng d
020			_a9780387734705 _a99780387734705
024	7		_a10.1007/b13137 _2doi
082	0	4	_a530.15 _223
100	1		_aMcClain, William. _eauthor.
245	1	0	_aSymmetry Theory in Molecular Physics with Mathematica _h[recurso electrónico] : _bA new kind of tutorial book / _cby William McClain.
250			_a1.
264		1	_aNew York, NY : _bSpringer New York, _c2008.
300			_aXIV, 504p. 100 illus., 50 illus. in color. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_arecurso en línea _bcr _2rdacarrier
347			_atext file _bPDF _2rda
505	0		_aA tutorial on notebooks -- A basic tutorial -- The meaning of symmetry -- Axioms of group theory -- Several kinds of groups -- The fundamental theorem -- The multiplication table -- Molecules -- The point groups -- Euler rotation matrices -- Lie's axis-angle rotations -- Recognizing matrices -- to the character table -- The operator MakeGroup -- Product groups -- Naming the point groups -- Tabulated representations of groups -- Visualizing groups -- Subgroups -- Lagrange's Theorem -- Classes -- Symmetry and quantum mechanics -- Transformation of functions -- Matrix representations of groups -- Similar representations -- The MakeRep operators -- Reducible representations -- The MakeUnitary operator -- Schur's reduction -- Schur's First Lemma -- Schur's Second Lemma -- The Great Orthogonality -- Character orthogonalities -- Reducible rep analysis -- The regular representation -- Projection operators -- Tabulated bases for representations -- Quantum matrix elements -- Constructing SALCs -- Hybrid orbitals -- Vibration analysis -- Multiple symmetries -- One-photon selection rules -- Two-photon tensor projections -- Three-photon tensor projections -- Class sums and their products -- Make a character table.
520			_aProf. McClain has indeed produced "a new kind of tutorial book." It is written using the logic engine Mathematica, which permits concrete exploration and development of every concept involved in Symmetry Theory. The book may be read in your hand, or on a computer screen with Mathematica running behind it. It is intended for students of chemistry and molecular physics who need to know mathematical group theory and its applications, either for their own research or for understanding the language and concepts of their field. The book has three major parts: Part I begins with the most elementary symmetry concepts, showing how to express them in terms of matrices and permutations. These are then combined into mathematical groups. Many chemically important point groups are constructed and kept in a Mathematica package for easy reference. No other book gives such easy access to the groups themselves. The automated group construction machinery allows you to tabulate new groups that may be needed in research, such as permutation groups that describe flexible molecules. In Part II, mathematical group theory is presented with motivating questions and experiments coming first, and theorems that answer those questions coming second. You learn to make representations of groups based on any set of symmetric objects, and then to make Mathematica operators that carry out rep construction as a single call. Automated construction of representations is offered by no other book. Part II follows a reconstructed trail of questions, clues and solid results that led Issai Schur to a complete proof of the Great Orthogonality. In Part III, the projection operators that flow from the Great Orthogonality are automated and applied to chemical and spectroscopic problems, which are now seen to fall within a unified intellectual framework. The topics include chemical bonding in symmetric molecules, molecular vibrations and rigorous reasoning about quantum mechanical matrix elements. As a concrete example of the enormous power of the automated projectors, the tensor operators for two- and three- photon processes are projected under all tabulated groups. All the machinery presented is general, and will work with new groups that you may construct. Finally, there is machinery that accepts as input the multiplication table of any group and returns as output its character table. This will be of great use to spectroscopists who deal with flexible molecules belonging to permutation groups, which are too numerous even for a Mathematica package.
650		0	_aPHYSICS.
650		0	_aCHEMISTRY, PHYSICAL ORGANIC.
650		0	_aCHEMISTRY.
650		0	_aGROUP THEORY.
650		0	_aMATHEMATICAL PHYSICS.
650	1	4	_aPHYSICS.
650	2	4	_aMATHEMATICAL METHODS IN PHYSICS.
650	2	4	_aTHEORETICAL, MATHEMATICAL AND COMPUTATIONAL PHYSICS.
650	2	4	_aGROUP THEORY AND GENERALIZATIONS.
650	2	4	_aTHEORETICAL AND COMPUTATIONAL CHEMISTRY.
650	2	4	_aATOMIC/MOLECULAR STRUCTURE AND SPECTRA.
650	2	4	_aPHYSICAL CHEMISTRY.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9780387734699
856	4	0	_uhttp://dx.doi.org/10.1007/b13137 _zVer el texto completo en las instalaciones del CICY
912			_aZDB-2-PHA
942			_2ddc _cER
999			_c58473 _d58473