000			04386nam a22005415i 4500
001			978-1-4020-5460-0
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005			20251006084521.0
007			cr nn 008mamaa
008			100301s2007 ne | s |||| 0|eng d
020			_a9781402054600
020			_a99781402054600
024	7		_a10.1007/978-1-4020-5460-0 _2doi
082	0	4	_a541 _223
100	1		_aLahmar, Souad. _eeditor.
245	1	0	_aTopics in the Theory Of Chemical and Physical Systems _h[electronic resource] : _bProceedings of the 10th European Workshop on Quantum systemsin chemistry and physics held at Carthage, Tunisia, in September 2005 / _cedited by Souad Lahmar, Jean Maruani, Stephen Wilson, Gerardo Delgado-Barrio.
264		1	_aDordrecht : _bSpringer Netherlands, _c2007.
300			_aXIV, 297 p. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aProgress in Theoretical Chemistry and Physics, _x1567-7354 ; _v16
505	0		_aAdvanced Methodologies -- Literate many-body perturbation theory programming: Third-order"ring" diagrams -- Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods -- Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water -- Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems -- On the time-dependent solutions of the Schrödinger equation -- Interactions and Clusters -- An improved 6-D potential energy surface for ammonia -- A review on gold-ammonia bonding patterns -- Potential energy surfaces and dynamics of He n Br2 van der Waals complexes -- Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions -- Excited States and Condensed Matter -- Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba -- On the role of electronic molecular states of high spin multiplicity -- Ab initio characterization of electronically excited metastable states of S2 - -- An extensive study of the prototypical highly silicon doped heterofullerene C30Si30 -- Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodol.
520			_aTopics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems: Advanced Methodologies Interactions and Clusters Excited States and Condensed Matter This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas.
650		0	_aCHEMISTRY.
650		0	_aCHEMISTRY, PHYSICAL ORGANIC.
650		0	_aQUANTUM THEORY.
650		0	_aMATERIALS.
650	1	4	_aCHEMISTRY.
650	2	4	_aPHYSICAL CHEMISTRY.
650	2	4	_aTHEORETICAL AND COMPUTATIONAL CHEMISTRY.
650	2	4	_aMATERIALS SCIENCE, GENERAL.
650	2	4	_aQUANTUM PHYSICS.
650	2	4	_aATOMIC/MOLECULAR STRUCTURE AND SPECTRA.
650	2	4	_aATOMIC, MOLECULAR, OPTICAL AND PLASMA PHYSICS.
700	1		_aMaruani, Jean. _eeditor.
700	1		_aWilson, Stephen. _eeditor.
700	1		_aDelgado-Barrio, Gerardo. _eeditor.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9781402054594
830		0	_aProgress in Theoretical Chemistry and Physics, _x1567-7354 ; _v16
856	4	0	_uhttp://dx.doi.org/10.1007/978-1-4020-5460-0 _zVer el texto completo en las instalaciones del CICY
912			_aZDB-2-CMS
942			_2ddc _cER
999			_c61285 _d61285