The linearized GW density matrix (γGW) is an efficient method to improve the static portion of self-energy compared that ordinary perturbative while keeping single-shot simplicity calculation. Previous work has shown γGW gives improved Fock operator and total energy components approach self-consistent quality. Here, we test for dimer dissociation first time by studying N2, LiH, Be2. We also cal...

In this paper, an iterative method is proposed for solving matrix equation $sum_{j=1}^s A_jX_jB_j = E$. This method is based on the global least squares (GL-LSQR) method for solving the linear system of equations with the multiple right hand sides. For applying the GL-LSQR algorithm to solve the above matrix equation, a new linear operator, its adjoint and a new inner product are dened. It is p...

Low-energy electron impact excitations of S2 molecules are studied using the fixedbond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as well as impact excitation of the 7 lowest excited electronic states. Also, differential cross sections are obtained for elastic collision and excitation of the a...

We showed several years ago that the density operator of Markovian open systems can be diagonalized continuously in time. The resulting pure state jump processes correspond to quantum trajectories proposed in recent quantum optics calculations or, at fundamental level, to exact consistent histories. The quantum state of an open quantum system — actually a subsystem of a closed one — cannot be d...

AHP (Analytic Hierarchy Process) has been widely used in decision making techniques. However, the results from AHP often lose reliability because the comparison matrix does not always have sufficient consistency. In these cases, fuzzy representation for weighting activities using results from a sensitivity analysis is useful. In this paper, we present alternative overall weights by employing so...