The necessity of accurately taking into account the existence of nonequivalent operator representations, associated with canonical transformations, is discussed. It is demonstrated that Bose systems in the presence of the Bose-Einstein condensate and without it correspond to different Fock spaces, orthogonal to each other. A composite representation for the field operators is constructed, allow...

We present a time-reversible Born-Oppenheimer molecular dynamics scheme, based on self-consistent Hartree-Fock or density functional theory, where both the nuclear and the electronic degrees of freedom are propagated in time. We show how a time-reversible adiabatic propagation of the electronic degrees of freedom is possible despite the nonlinearity and incompleteness of the self-consistent fie...

Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (IV) hfodd (v2.07f): a new version of the program. Abstract We describe the new version (v2.07f) of the code hfodd which solves the nuclear Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, all sy...

A set of weakly interacting spin-1 2 Fermions, confined by a harmonic oscillator potential, and interacting with each other via a contact potential, is a model system which closely represents the physics of a dilute gas of two-component fermionic atoms confined in a magneto-optic trap. In the present work, our aim is to present a Fortran 90 computer program which, using a basis set expansion te...

Abstract We examine long-wavelength correlation functions of massive scalar fields in de Sitter spacetime. For the theory with a quartic self-interaction, two-point function is calculated up to two loops. Comparing our results Hartree-Fock approximation and stochastic approach shows that former resums only cactus type diagrams, whereas latter contains sunset diagram as well produces correct res...

Self-assembled monolayers (SAMs) have recently garnered much interest due to their unique electrical and chemical properties. The limited literature detailing SAM thermal properties has suggested that thermal boundary conductance (TBC) at solid-SAM junctions is not only low, but also insensitive to changes in SAM length as the number of methylene groups (-CH2-) along alkanedithiol chains is var...

the interaction of dopamine and cysteine for formation of 5-s-cysteinyldopamine are investigated at thehartree-fock level theory. the structural and vibrational properties of 5-s-cysteinyldopamine are studiedat level of hf/6-31g*.interaction energy ( ae) is calculated -771.6923 kcal/mol rotational energy andthermodynamic parameters around two bond have been determined using hf/3-21g. changes of...

We consider the non-equilibrium dynamics of a weakly interacting Bose gas tightly confined to highly elongated double well potential. use self-consistent time-dependent Hartree--Fock approximation in combination with projection full three-dimensional theory several coupled one-dimensional channels. This allows us model splitting and phase imprinting initially single quasi potential obtain micro...