Related papers: Self-consistent field theory based molecular dynam…
In the presence of an inhomogeneous oscillatory electric field, charged particles experience a net force, averaged over the oscillatory timescale, known as the ponderomotive force. We derive a one-dimensional Hamiltonian model which…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We present the fully general time-dependent multiconfiguration self-consistent-field method to describe the dynamics of a system consisting of arbitrary different kinds and numbers of interacting fermions and bosons. The total wave function…
In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields…
A redefinition of the Lagrangian of a multi-particle system in fields reformulates the single-particle, kinetic, and fluid equations governing fluid and plasma dynamics as a single set of generalized Maxwell's equations and Ohm's law for…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We study the Fock quantization of scalar fields of Klein-Gordon type in nonstationary scenarios propagating in spacetimes with compact spatial sections, allowing for different field descriptions that are related by means of certain nonlocal…
The optimized effective potential method is formulated as a convex minimization problem. This formulation does not require assumptions about $v$-representability nor functional differentiability. The formulation provides a natural framework…
How many canonical degrees of freedom does a quantum field theory actually use during its Hamiltonian evolution? For a UV/IR-regularised classical scalar field, we address this question directly at the level of phase-space dynamics by…
We discuss the effective field theory of large scale structure in terms of a single scalar degree of freedom, corresponding to the velocity potential of the matter fluid in a $\Lambda$CDM universe. This cosmic ``pion'' field is nonlinearly…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
Classical Electrodynamics is not a consistent theory because of its field inadequate behaviour in the vicinity of their sources. Its problems with the electron equation of motion and with non-integrable singularity of the electron self…
We propose the generally covariant action for the theory of a self-coupled complex scalar field and electromagnetism which by virtue of constraints is equivalent, in the regime of long wavelengths, to perfect magnetohydrodynamics (MHD). We…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
In this paper, we show that there is a large class of fermionic systems for which it is possible to find, for any dimension, a finite closed set of eigenoperators and eigenvalues of the Hamiltonian. Then, the hierarchy of the equations of…
We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of spherical colloidal particles. The solvent is modeled on the level of the lattice-Boltzmann method while the…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
Non-perturbative formulations of field theories are essential to capture intriguing physical phenomena, including confinement in QCD, spontaneous supersymmetry breaking, and dynamical compactification in superstrings. Lattice regularization…
On the basis of qualitative theory of differential equations it is shown that dynamic system based on the system of Einstein - Klein - Gordon equations with regard to Friedman Universe has a stable center corresponding to zero values of…