Related papers: Chemical Principle and PDE of Variational Electrod…
We consider a periodic self-adjoint pseudo-differential operator $H=(-\Delta)^m+B$, $m>0$, in $\R^d$ which satisfies the following conditions: (i) the symbol of $B$ is smooth in $\bx$, and (ii) the perturbation $B$ has order less than $2m$.…
A variational principle for determining unstable periodic orbits of flows as well as unstable spatio-temporally periodic solutions of extended systems is proposed and implemented. An initial loop approximating a periodic solution is evolved…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We study the stability of circular orbits of the electromagnetic two-body problem in an electromagnetic setting that includes retarded and advanced interactions. We give a method to derive the equations of tangent dynamics about circular…
Assume that A is a bounded selfadjoint operator in a Hilbert space H. Then, the variational principle is obtained for some functional. As an application of this principle, a variational principle for the electrical capacitance of a…
We provide Fredholm conditions for compatible differential operators on certain Lie manifolds (that is, on certain possibly non-compact manifolds with nice ends). We discuss in more detail the case of manifolds with cylindrical, hyperbolic,…
The concept of the order parameter is extremely useful in physics. Here, I discuss extensions of this concept to cases when the order parameter is no longer a constant but fluctuates or oscillates in space and time. This allows one to…
We solve the Schr\"odinger equation with a position-dependent mass (PDM) charged particle interacted via the superposition of the Morse and Coulomb potentials and exposed to external magnetic and Aharonov-Bohm (AB) flux fields. The…
In recent years, significant progress has been made in the computation of conservative and dissipative scattering observables using the post-Minkowskian approach to gravitational dynamics. However, for accurate modeling of unbound orbits,…
In a common paradigm, the electronic structure of condensed matter is divided into weakly and strongly correlated compounds. While conventional band theory usually works well for the former class, many-body effects are essential for the…
We consider the primal and dual forms of the optimality conditions for PDE-contrained optimization problems arising in Data-Driven Computational Mechanics when specialized to the reaction-diffusion context. Starting with the continuous…
The aim of this paper is to numerically investigate the orbital dynamics of the circular planar restricted problem of five bodies. By numerically integrating several large sets of initial conditions of orbits we classify them into three…
We present a deformable Discrete Element Method (DEM) that extends the classical rigid-particle formulation through a reduced-order description of elastic grain-scale deformation. The method hinges on two developments. First, an energetic…
The dynamical parameters conventionally used to specify the orbit of a test particle in Kerr spacetime are the energy $E$, the axial component of the angular momentum, $L_{z}$, and Carter's constant $Q$. These parameters are obtained by…
We develop a new compact scheme for second-order PDE (parabolic and Schr\"odinger type) with a variable time-independent coefficient. It has a higher order and smaller error than classic implicit scheme. The Dirichlet and Neumann boundary…
Calculations of the lowest valence {\pi}* as well as the 3s and higher energy 3p{\sigma} Rydberg excited states of the CO2 molecule are carried out using density functionals with variational optimization of the orbitals, an approach…
The fourth-order PDE that models the density variation of smectic A liquid crystals presents unique challenges in its (numerical) analysis beyond more common fourth-order operators, such as the classical biharmonic. While the operator is…
A description of scalar charged particles, based on the Feshbach-Villars formalism, is proposed. Particles are described by an object that is a Wigner function in usual coordinates and momenta and a density matrix in the charge variable. It…
We present the explicit solution to the geodesic equations in a warped de Sitter space-time proposed by Randall-Sundrum. We find that a test particle moves in the bulk and is not restricted on a 3-brane (to be taken as our universe). On the…
The paper concerns the general linear one-dimensional second-order hyperbolic equation $$ \partial^2_tu - a^2(x,t)\partial^2_xu + a_1(x,t)\partial_tu + a_2(x,t)\partial_xu + a_3(x,t)u=f(x,t), \quad x\in(0,1) $$ with periodic conditions in…