89 research outputs found
On the ground state of solids with strong electron correlations
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 is introduced which results in an incremental
expansion of the energy. The present approach generalizes previous work
designed for weakly correlated electronic systems.Comment: 17 pages, Latex(revtex
Correlation effects in MgO and CaO: Cohesive energies and lattice constants
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 ab-initio quantum chemical methods for evaluating
individual increments, we obtain 80% of the difference between the experimental
and Hartree-Fock cohesive energies. Lattice constants corrected for correlation
effects deviate by less than 1% from experimental values, in the case of MgO
and CaO.Comment: LaTeX, 4 figure
The registry of the German Network for Systemic Scleroderma: frequency of disease subsets and patterns of organ involvement
Objective. Systemic sclerosis (SSc) is a rare, heterogeneous disease, which affects different organs and therefore requires interdisciplinary diagnostic and therapeutic management. To improve the detection and follow-up of patients presenting with different disease manifestations, an interdisciplinary registry was founded with contributions from different subspecialties involved in the care of patients with SSc
Spin Symmetry Requirements in Density Functional Theory: The Proper Way to Predict Magnetic Coupling Constants in Molecules and Solids
Welches Implantat an welcher Position? Eine biomechanische Untersuchung an der distalen Fibula
Biomechanical analysis of polyaxial locking vs. non-locking plate fixation of unstable fractures of the distal fibula: A cadaver study with a bone only model☆
Orthogonene Redux: A Nearly Orthogonal Alkene Predicted to Exhibit Considerable Stability. A Computational Study
Disease progression in ssc-overlap syndromes is significantly different from limited and diffuse cutaneous ssc
Disease progression in ssc-overlap syndromes is significantly different from limited and diffuse cutaneous ssc
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