We present the nonequilibrium implementation of two-particle self-consistent (TPSC) approach, which has been shown to provide a reliable equilibrium description interacting lattice systems in weak- and intermediate-correlation regime. This method captures effects local nonlocal correlations two- higher-dimensional satisfies Mermin-Wagner theorem. demonstrate versatility TPSC with calculations t...

The accurate ab initio quantum chemical (QM) method multiconfigurational second-order perturbation (CASSPT2)/complete active space self-consistent field (CASSCF) has been used in conjunction with molecular mechanics (MM) procedures to compute molecular properties and photoinduced reactivity of DNA/RNA nucleobases (NABs) in isolation and within a realistic environment, in which the double helix ...

The charge loss due to initial recombination was measured for various therapy level ionization chamber types. Different methods were applied. Measurements were performed in Co beams, pulsed high-energy photon beams and pulsed high-energy electron beams. The results are mutually consistent within less than 0.05 %. Within this uncertainty initial recombination and diffusion do not depend on the r...

We propose simple randomized strategies for sequential prediction under imperfect monitoring, that is, when the forecaster does not have access to the past outcomes but rather to a feedback signal. The proposed strategies are consistent in the sense that they achieve, asymptotically, the best possible average reward. It was Rustichini [11] who first proved the existence of such consistent predi...

An MCHF atomic-structure package is presented based on dynamic memory allocation, sparse matrix methods, and a recently developed angular library. It is meant for large-scale calculations in a basis of orthogonal orbitals for groups of LS terms of arbitrary parity. For Breit-Pauli calculations, all operators – spin-orbit, spin-other orbit, spin-spin, and orbit-orbit – may be included. For trans...