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Atomic properties: two-electron atoms

Arne Haaland

in Molecules and Models: The molecular structures of main group element compounds

Published in print:
2008
Published Online:
May 2008
ISBN:
9780199235353
eISBN:
9780191715594
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199235353.003.0002
Subject:
Physics, Condensed Matter Physics / Materials

This chapter discusses the application of quantum mechanics to helium and other two-electron atoms. The use of the wavefunction to calculate probability densities is described. The atomic orbital ... More


Short Review of Electronic Structure Methods

Stephan P. A. Sauer

in Molecular Electromagnetism: A Computational Chemistry Approach

Published in print:
2011
Published Online:
December 2013
ISBN:
9780199575398
eISBN:
9780191775109
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199575398.003.0009
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter reviews the most important wavefunction-based computational chemistry methods for calculating ground state energies and electronic wavefunctions of molecules. These include the ... More


Density operators and Wigner functions

Helmut Hofmann

in The Physics of Warm Nuclei: with Analogies to Mesoscopic Systems

Published in print:
2008
Published Online:
September 2008
ISBN:
9780198504016
eISBN:
9780191708480
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198504016.003.0019
Subject:
Physics, Nuclear and Plasma Physics

This chapter introduces density operators and matrices for many-body systems, and explains their reduction to one- and two-body densities. Starting from the Slater determinant, the latter are ... More


Quantum Chemistry Calculations

Robert N. Compton and Michael A. Duncan

in Laser Experiments for Chemistry and Physics

Published in print:
2015
Published Online:
December 2015
ISBN:
9780198742975
eISBN:
9780191816932
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198742975.003.0015
Subject:
Physics, Atomic, Laser, and Optical Physics

Lasers are employed in this book to obtain many molecular properties, from IR and Raman vibrational frequencies, to molecular energy levels, to optical rotary dispersion values. This chapter ... More


Identical particles

Efstratios Manousakis

in Practical Quantum Mechanics: Modern Tools and Applications

Published in print:
2015
Published Online:
December 2015
ISBN:
9780198749349
eISBN:
9780191813474
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198749349.003.0025
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter discusses the case of a many-body system of identical particles. It considers the consequencies of the symmetry of the Hamiltonian under particle permutations in this case. It discusses ... More


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