74 search results - page 2 / 15 » Numerical Methods for Electronic Structure Calculations of M... |
ICCS
2005
Springer
13 years 10 months ago
2005
Springer
Abstract. Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the Coupled Cluster method. Transformations using algeb...
MCS
2007
Springer
13 years 5 months ago
2007
Springer
The paper deals with a structural optimization of composite materials with periodic microstructures invoking an elasto-plasticity model with the von Mises yield criterion. Closest...
CPHYSICS
2007
13 years 5 months ago
2007
Excited-state calculations, notably for quasiparticle band structures, are nowadays routinely performed within the GW approximation for the electronic self-energy. Nevertheless, c...
SIAMAM
2008
13 years 5 months ago
2008
We consider the problem of calculating resonance frequencies and radiative losses of an optical resonator. The optical resonator is in the form of a thin membrane with variable die...
MOC
1998
13 years 4 months ago
1998
By splitting a given singular function into a relatively smooth part and a specially structured singular part, it is shown how the traditional Fourier method can be modified to gi...