Accession Number : ADA182368

Title :   Ab Initio Calculations of the Magnetic Anisotropy.

Descriptive Note : Annual letter,

Corporate Author : OREGON STATE UNIV CORVALLIS

Personal Author(s) : Jansen, Henri J

PDF Url : ADA182368

Report Date : May 1987

Pagination or Media Count : 6

Abstract : The main achievement is the development of computer codes for electronic structure calculations for systems without any rotational symmetry. At present, these codes are only tested for atomic systems, but exactly the same technique will be used for solids. This will then enable us to calculate the effects of spin-orbit coupling on the electronic structure of solids. The text will describe the numerical techniques which are used. After that detailed results of the investigation of the carbon atom are given.

Descriptors :   *ANISOTROPY, *MAGNETIC FIELDS, *ATOMIC SPECTROSCOPY, ATOMS, CARBON, SOLIDS, NUMERICAL METHODS AND PROCEDURES, SOLIDS, COMPUTATIONS, COMPUTER PROGRAMS, ROTATION, SYMMETRY, COUPLING(INTERACTION), ORBITS, ELECTRONIC STATES, SPIN STATES, HAMILTONIAN FUNCTIONS

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE