Studies of quantum dots : Ab initio coupled-cluster analysis using OpenCL and GPU programming

[2012] revisited the spacecraft potential technique and used calibrated Cluster data combined with measurements of solar irradiance to calculate more accurate cold plasma density

In this context, we present a methodology based on coupled flow/geomechanical simulations which, from the uncertainty on the subsurface properties and

In this paper, by using hierarchical cluster analysis (HCA) with a customized distance mea- sure, we combined longitudinal information on timing of medication exposure together with

In this paper we discuss the evaluation of molecular dipole mo- ments, polarizabilities and the geometrical derivatives of these prop- erties using ab initio wave

The calculation of CC geometrical derivatives is espe- cially challenging since the wave function is constructed from nonvariational parameters (molecular orbitals and

In this communication, we consider coupled cluster wave functions constructed from single and double excita- tions 1 (CCSD) and demonstrate how excitation energies

To better understand the structure of the approximate triples models, we have given an alternative deviation of many-body perturbation theory, using the coupled cluster

In this paper we focus on the problem of visualizing a deformable surface defined by a spring-mass system solved on the GPU. In [MHS05, MS05] we presented methods for GPU