13 citations · 13 across the 1 of their papers we have counts for
6 papers
Correlation-induced corrections to the band structure of boron nitride: a wave-function-based approach
A. Stoyanova, L. Hozoi, P. Fulde +1
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based…
On the ground state of solids with strong electron correlations
P. Fulde, H. Stoll, K. Kladko
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations…
Correlation effects in MgO and CaO: Cohesive energies and lattice constants
Klaus Doll, Michael Dolg, Hermann Stoll
A recently proposed computational scheme based on local increments has been applied to the calculation of correlation contributions to the cohesive energy of the CaO crystal. Using…
Cohesive energies of cubic III-V semiconductors
Beate Paulus, Peter Fulde, Hermann Stoll
Cohesive energies for twelve cubic III-V semiconductors with zincblende structure have been determined using an ab-initio scheme. Correlation contributions, in particular, have bee…
Correlation effects in ionic crystals: I. The cohesive energy of MgO
Klaus Doll, Michael Dolg, Peter Fulde +1
High-level quantum-chemical calculations, using the coupled-cluster approach and extended one-particle basis sets, have been performed for (Mg2+)n (O2-)m clusters embedded in a Mad…
Electron correlations for ground state properties of group IV semiconductors
Beate Paulus, Peter Fulde, Hermann Stoll
Valence energies for crystalline C, Si, Ge, and Sn with diamond structure have been determined using an ab-initio approach based on information from cluster calculations. Correlati…