Atomic Structure Calculations for Neutral Oxygen
نویسندگان
چکیده
منابع مشابه
Relativistic calculations of atomic structure
This paper is intended to give a review on relativistic atomic structure calculations [1] with emphasis on the Multiconfigurational-Dirac-Foek method, Dr Crossley has summarized in his preeeeding paper most of the non-relativistic methods whieh lead to good binding energies and transition probabilities. Both quantities are espeeially important in astrophysies and plasma physies. Sinee relativis...
متن کاملAtomic spectral methods for molecular electronic structure calculations.
Theoretical methods are reported for ab initio calculations of the adiabatic (Born-Oppenheimer) electronic wave functions and potential energy surfaces of molecules and other atomic aggregates. An outer product of complete sets of atomic eigenstates familiar from perturbation-theoretical treatments of long-range interactions is employed as a representational basis without prior enforcement of a...
متن کاملAn MCHF atomic-structure package for large-scale calculations
An MCHF atomic-structure package is presented based on dynamic memory allocation, sparse matrix methods, and a recently developed angular library. It is meant for large-scale calculations in a basis of orthogonal orbitals for groups of LS terms of arbitrary parity. For Breit-Pauli calculations, all operators – spin-orbit, spin-other orbit, spin-spin, and orbit-orbit – may be included. For trans...
متن کاملAll-Order Methods for Relativistic Atomic Structure Calculations
All-order extensions of relativistic atomic many-body perturbation theory are described and applied to predict properties of heavy atoms. Limitations of relativistic many-body perturbation theory are first discussed and the need for all-order calculations is established. An account is then given of relativistic all-order calculations based on a linearized version of the coupled-cluster expansio...
متن کاملAtomic structure calculations and beam-foil observations of La IV
Relativistic Hartree–Fock and multiconfigurational Dirac–Fock calculations of atomic structure and transition rates have been carried out in trebly ionized lanthanum (La3+, Z = 57). The calculations have to cope with configuration interaction effects but also with the very complex situation of the collapse of the 4f wave function. The calculations are compared to experimental data obtained with...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Spectroscopy
سال: 2016
ISSN: 1687-9449,1687-9457
DOI: 10.1155/2016/1697561