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The Application Of Some Hartree Fock Model Calculation To The Analysis Of Atomic And Free Ion Optical Spectra
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Book Synopsis The Application of Some Hartree-Fock Model Calculation to the Analysis of Atomic and Free-Ion Optical Spectra by :
Download or read book The Application of Some Hartree-Fock Model Calculation to the Analysis of Atomic and Free-Ion Optical Spectra written by and published by . This book was released on 1980 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Techniques for applying ab-initio calculations to the is of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multi-configuration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e. wavefunctions with radial correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to "screen" the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the K I sequence from K{sup 0+} through Fe{sup 7+}, fitting to experimental levels for V{sup 4+}, and Cr{sup 5+}; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: Energy levels of the Uranium hexahalide complexes, (UX6)2− for X= F, Cl, Br, and I, are fit to an effective Hamiltonian (the f2 configuration in O{sub h} symmetry) with corrections proposed by Brian Judd.
Book Synopsis The Application of Some Hartree-Fock Model Calculations to the Analysis of Atomic and Free-ion Optical Spectra by : Thomas Laine Hayhurst
Download or read book The Application of Some Hartree-Fock Model Calculations to the Analysis of Atomic and Free-ion Optical Spectra written by Thomas Laine Hayhurst and published by . This book was released on 1980 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Application of Some Hartree-Fock Model Calculations to the Analysis of Atomic and Free-ion Optical Spectra by :
Download or read book Application of Some Hartree-Fock Model Calculations to the Analysis of Atomic and Free-ion Optical Spectra written by and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Techniques for applying ab-initio calculations to the analysis of atomic spectra are investigated, along with the relationship between the semi-empirical and ab-initio forms of Slater-Condon theory. Slater-Condon theory is reviewed with a focus on the essential features that lead to the effective Hamiltonians associated with the semi-empirical form of the theory. Ab-initio spectroscopic parameters are calculated from wavefunctions obtained via self-consistent field methods, while multi-configuration Hamiltonian matrices are constructed and diagonalized with computer codes written by Robert Cowan of Los Alamos Scientific Laboratory. Group theoretical analysis demonstrates that wavefunctions more general than Slater determinants (i.e., wavefunctions with radial correlations between electrons) lead to essentially the same parameterization of effective Hamiltonians. In the spirit of this analysis, a strategy is developed for adjusting ab-initio values of the spectroscopic parameters, reproducing parameters obtained by fitting the corresponding effective Hamiltonian. Secondary parameters are used to screen the calculated (primary) spectroscopic parameters, their values determined by least squares. Extrapolations of the secondary parameters determined from analyzed spectra are attempted to correct calculations of atoms and ions without experimental levels. The adjustment strategy and extrapolations are tested on the K I sequence from K/sup 0 +/ through Fe/sup 7 +/, fitting to experimental levels for V/sup 4 +/, and Cr/sup 5 +/; unobserved levels and spectra are predicted for several members of the sequence. A related problem is also discussed: energy levels of the uranium hexahalide complexes, (UX6)/sup 2 -/ for X = F, Cl, Br, and I, are fit to an effective Hamiltonian (the f2 configuration in O/sub h/ symmetry) with corrections proposed by Brian Judd. (SPD).
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1993 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1988 with total page 1344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976-03 with total page 938 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Government Reports Announcements & Index by :
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1987 with total page 1180 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications by : United States. National Bureau of Standards
Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1977 with total page 766 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Bureau of Standards ... Catalog by : United States. National Bureau of Standards
Download or read book Publications of the National Bureau of Standards ... Catalog written by United States. National Bureau of Standards and published by . This book was released on 1977 with total page 748 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Institute of Standards and Technology ... Catalog by : National Institute of Standards and Technology (U.S.)
Download or read book Publications of the National Institute of Standards and Technology ... Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1986 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliography on Atomic Energy Levels and Spectra, July 1971 Through June 1975 by : Lucy Hagan
Download or read book Bibliography on Atomic Energy Levels and Spectra, July 1971 Through June 1975 written by Lucy Hagan and published by . This book was released on 1977 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliography on the High Temperature Chemistry and Physics of Materials by :
Download or read book Bibliography on the High Temperature Chemistry and Physics of Materials written by and published by . This book was released on 1985 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book INIS Atomindex written by and published by . This book was released on 1981 with total page 1076 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Literature 1973, Part 1 by : Siegfried Böhme
Download or read book Literature 1973, Part 1 written by Siegfried Böhme and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt: Astronomy and Astrophysics Abstracts, which has appeared in semi-annual volumes since 1969, is de voted to the recording, summarizing and indexing of astronomical publications throughout the world. It is prepared under the auspices of the International Astronomical Union (according to a resolution adopted at the 14th General Assembly in 1970). Astronomy and Astrophysics Abstracts aims to present a comprehensive documentation of literature in all fields of astronomy and astrophysics. Every effort will be made to ensure that the average time interval between the date of receipt of the original literature and publication of the abstracts will not exceed eight months. This time interval is near to that achieved by monthly abstracting journals, com pared to which our system of accumulating abstracts for about six months offers the advantage of greater convenience for the user. Volume 9 contains literature published in 1973 and received before August 15, 1973; some older liter ature which was received late and which is not recorded in earlier volumes is also included. We acknowledge with thanks contributions to this volume by Dr. J. Bouska, who surveyed journals and publications in the Czech language and supplied us with abstracts in English, and by the Common wealth Scientific and Industrial Research Organization (C.S.I.R.O.), Sydney, for providing titles and abstracts of papers on radio astronomy.
Book Synopsis Publications of the National Bureau of Standards by : United States. National Bureau of Standards
Download or read book Publications of the National Bureau of Standards written by United States. National Bureau of Standards and published by . This book was released on 1976 with total page 744 pages. Available in PDF, EPUB and Kindle. Book excerpt:
