Publications
View AllA multiconfiguration self-consistent reaction field response method
A multiconfiguration self-consistent reaction field linear response method is presented for calculating frequency-dependent molecular properties as well as electronic excitation...
Muffin-tin orbitals and molecular calculations: General formalism
An account is given of a new formalism for calculating energy levels in molecules using techniques that derive from the band theory of metals. After showing how the molecular po...
Electronic States as Linear Combinations of Muffin-Tin Orbitals
A general method for the calculation of electronic states in solids and molecules is proposed. As in the augmented-plane-wave scheme, we use the variational principle for the Ha...
Crystal Potential Parameters from Fermi-Surface Dimensions
It is shown that Lee's nonunique phase-shift parameters ${\ensuremath{\eta}}_{l}(\ensuremath{\kappa})$, determined from the experimental Fermi surfaces of Cu and the alkali meta...
Institution Info
- Type
- company
- Country
- DK
- Publications
- 6
- Citations
- 1,709
External Links
Identifiers
- ROR
- https://ror.org/02as34v38