TY  - THES
AB  - The dissertation uses the Multiconfiguration Self-Consistent Field Approach to specify the electronic wave function of N electron atoms in a static electrical field. It presents numerical approaches to describe the wave functions and introduces new methods to compute the numerical Fock equations.
Based on results computed with an implemented computer program the universal application, flexibility and high numerical precision of the presented approach is shown.
RHF results and for the first time MCSCF results for polarizabilities and hyperpolarizabilities of various states of the atoms He to Kr are discussed.
In addition, an application to interpret a plasma spectrum of gallium is presented.
DA  - 1995
KW  - Atom , Elektrostatisches Feld , Elektronenstruktur , MCSCF-Verfahren , Numerisches Verfahren , Hartree-Fock-Methode , Polarisierbarkeit , Hyperpolarisierbarkeit , Polarisability , Hyperpolarisability
LA  - ger
PY  - 1995
TI  - Der numerische Multiconfiguration Self-Consistent Field-Ansatz für Atome
UR  - https://nbn-resolving.org/urn:nbn:de:hbz:361-15168
Y2  - 2024-11-22T05:05:43
ER  -