Theoretical Chemistry and Physics of Heavy and Superheavy ElementsU. Kaldor, Stephen Wilson Springer Science & Business Media, 30 нояб. 2003 г. - Всего страниц: 565 Quantum mechanics provides the fundamental theoretical apparatus for describing the structure and properties of atoms and molecules in terms of the behaviour of their fundamental components, electrons and nudeL For heavy atoms and molecules containing them, the electrons can move at speeds which represent a substantial fraction of the speed of light, and thus relativity must be taken into account. Relativistic quantum mechanics therefore provides the basic formalism for calculating the properties of heavy-atom systems. The purpose of this book is to provide a detailed description of the application of relativistic quantum mechanics to the many-body prob lem in the theoretical chemistry and physics of heavy and superheavy elements. Recent years have witnessed a continued and growing interest in relativistic quantum chemical methods and the associated computa tional algorithms which facilitate their application. This interest is fu elled by the need to develop robust, yet efficient theoretical approaches, together with efficient algorithms, which can be applied to atoms in the lower part of the Periodic Table and, more particularly, molecules and molecular entities containing such atoms. Such relativistic theories and computational algorithms are an essential ingredient for the description of heavy element chemistry, becoming even more important in the case of superheavy elements. They are destined to become an indispensable tool in the quantum chemist's armoury. Indeed, since relativity influences the structure of every atom in the Periodic Table, relativistic molecular structure methods may replace in many applications the non-relativistic techniques widely used in contemporary research. |
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CLXXX | 463 |
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CLXXXIX | 493 |
CXCI | 496 |
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CXCIV | 507 |
CXCV | 510 |
CXCVI | 512 |
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CXCVIII | 517 |
CXCIX | 519 |
CC | 523 |
CCI | 525 |
CCII | 527 |
CCIII | 531 |
CCV | 533 |
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Другие издания - Просмотреть все
Theoretical Chemistry and Physics of Heavy and Superheavy Elements U. Kaldor,Stephen Wilson Ограниченный просмотр - 2013 |
Theoretical Chemistry and Physics of Heavy and Superheavy Elements U. Kaldor,Stephen Wilson Недоступно для просмотра - 2010 |
Theoretical Chemistry and Physics of Heavy and Superheavy Elements U. Kaldor,Stephen Wilson Недоступно для просмотра - 2014 |
Часто встречающиеся слова и выражения
4-component actinides approach approximation atomic number atoms basis set binding energy Breit interaction calculations charge Chem chemical computed configuration contribution core hole corrections correlation energies corresponding Coulomb coupled cluster defined density DF SCF Dirac equation Dirac Hamiltonian electron affinities electron correlation electronic structure Eliav emission evaluation exact excited expansion experimental Feynman finite Fock Gaussian graph Hamiltonian Hartree Hartree-Fock heavy atoms integrals ionization ions Ishikawa Kaldor large component Lett matrix elements MCDF method molecular molecules negative energy negative-energy no-pair nonrelativistic nuclear nucleus obtained one-electron operator orbitals parameters particles perturbation theory photon Phys potential predicted properties pseudopotential Pyykkö quantum chemistry quantum electrodynamics quantum mechanics radiative RDFT relativistic effects relativistic quantum chemistry relativity RGGA scalar second-order small component solutions spectra spectrum spin-orbit spinors sub-shell superheavy elements Table theoretical tion transformation transition two-component two-electron valence electrons values wave function
Ссылки на эту книгу
Advanced Topics in Theoretical Chemical Physics Jean Maruani,Roland Lefebvre,Erkki J. Brändas Ограниченный просмотр - 2003 |