相关论文: Classical and semiclassical studies of the hydroge…
The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of water molecules deviates from conventional ice rules,…
We study the stability of the hydrogen molecule interacting with the environment according to the balanced gain and loss energy scheme. We determined the properties of the molecule taking into account all electronic interactions, where the…
We investigate classical and semiclassical aspects of codimension--two bifurcations of periodic orbits in Hamiltonian systems. A classification of these bifurcations in autonomous systems with two degrees of freedom or time-periodic systems…
The pedagogic two stste system of the ammonia molecule is used to illustrate the phenomenon of environment induced molecular localization in pyramidal molecules. A semiclassical model is used to describe a gas of pyramidal molecules…
We studied the orbit of an electron revolving around an infinitely massive nucleus of a large classical Hydrogen atom subject to an AC electric field oscillating perpendicular to the electron's circular orbit. Using perturbation theory in…
A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…
Recurrence relations of perturbation theory for hydrogen ground state are obtained. With their aid polarizabilities in constant perpendicular electric and magnetic fields are computed up to 80th order. The high orders asymptotic is compared…
Some first principles that, we believe, could serve as foundation for quantum theory of extended particles are formulated. It is also shown that in the point-like particles limit the non-relativistic quantum mechanics can be restored. As an…
Water is an associated liquid in which the main intermolecular interaction is the hydrogen bond (HB) which is limited to four per atom, independently of the number of neighbours. We have considered a hydrogen bond net superposed on Bernal's…
We compute the dispersion laws of chaotic periodic systems using the semiclassical periodic orbit theory to approximate the trace of the powers of the evolution operator. Aside from the usual real trajectories, we also include complex…
The motion of celestial bodies in astronomy is closely related to the orbits of electrons encircling an atomic nucleus. Bohr and Sommerfeld presented a quantization scheme of the classical orbits to analyze the eigenstates of the hydrogen…
The present manuscript revisits one of the earliest approaches to treating molecular systems within the Schr\"odinger formalism of quantum mechanics: the Heitler-London (HL) model. Originally proposed in 1927 and based on a linear…
By means of periodic orbit theory and deformed cavity model, we have investigated semiclassical origin of superdeformed shell structure and also of reflection-asymmetric deformed shapes. Systematic analysis of quantum-classical…
Equilibrium properties of hydrogen-helium mixtures under conditions similar to the interior of giant gas planets are studied by means of first principle density functional molecular dynamics simulations. We investigate the molecular and…
Decoherence for a one-dimensional coupled-resonator waveguide with a two-level system inside one of resonators, induced by their interaction with corresponding environments, is investigated. Each environment is modeled as a continuum of…
Historically, the eccentricity of Sommerfeld orbits from quantization conditions in either parabolic or spherical coordinates was found to differ in almost all cases. To do the orbit comparison correctly, one must use amended instead of…
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…
After early work of Henon it has become folk knowledge that symmetric periodic orbits are of particular importance. We reinforce this belief by additional studies and we further find that invariant closed symplectic submanifolds caused by…
We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this…
Helices of increased electron density can spontaneously form in materials containing multiple, interacting density waves. Although a macroscopic order parameter theory describing this behaviour has been proposed and experimentally tested, a…