We consider the C*-algebraRq generated by the representation of the q-commutation relations on the twisted Fock space. We construct a canonical unitary U (= U(q)) from the twisted Fock space to the usual Fock space, such that URqU∗ contains the extended Cuntz algebra R0, for all q ∈ (−1, 1). We prove the equality URqU∗ = R0 for q satisfying: q < 1− 2|q|+ 2|q| − 2|q| + · · ·+ 2(−1)k|q|k2 + · · ·...

We present the Hartree-Fock approximation method for the many-body problems in Quantum Mechanics cor r esponding to the interaction of neutrons and protons We study the vanous farms of Hartree-Fock équations, the questions related to spin-dependence and spin-orbtt forces, symmetries of the nucleus and symmetry breakings and time-dependent Hartree-Fock équations AMS (MOS) Subject Classifications...

The Fock space of bosons and fermions and its underlying superalgebra are represented by algebras of functions on a superspace. We define Gaussian integration on infinite dimensional superspaces, and construct superanalogs of the classical function spaces with a reproducing kernel – including the Bargmann-Fock representation – and of the Wiener-Segal representation. The latter representation re...

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 direct ~recomputation of two-electron integrals! implementation of the gauge-including atomic orbital ~GIAO! and the CSGT ~continuous set of gauge transformations! methods for calculating nuclear magnetic shielding tensors at both the Hartree-Fock and density functional levels of theory are presented. Isotropic C, N, and O magnetic shielding constants for several molecules, including taxol ...

We extend a recent calculation of the nuclear energy density functional in the systematic framework of chiral perturbation theory by computing the isovector spin-orbit terms: (~ ∇ρp− ~ ∇ρn) · ( ~ Jp− ~ Jn)Gso(kf )+ ( ~ Jp− ~ Jn) GJ(kf ). The calculation includes the one-pion exchange Fock diagram and the iterated one-pion exchange Hartree and Fock diagrams. From these few leading order contribu...

– We solve the Dyson equation for atoms and diatomic molecules within the GW approximation, in order to elucidate the effects of self-consistency on the total energies and ionization potentials. We find GW to produce accurate energy differences although the selfconsistent total energies differ significantly from the exact values. Total energies obtained from the Luttinger-Ward functional ELW[G]...

We study the stability of vortices in trapped single-component Bose–Einstein condensates within self-consistent mean-field theories; in particular, we consider the Hartree–Fock–Bogoliubov–Popov theory and its recently proposed gapless extensions. It is shown that for sufficiently repulsively interacting systems the anomalous negative-energy modes related to vortex instabilities are lifted to po...