相关论文: Classical and semiclassical studies of the hydroge…
The natural and Dyson orbitals are studied for small helium drops comprising 5 to 20 helium atoms interacting via a soft two-body gaussian potential. The wave functions of these drops have been obtained in the hyperspherical cluster model…
The analysis of Coulomb crystallization is extended from one-component to two-component plasmas. Critical parameters for the existence of Coulomb crystals are derived for both classical and quantum crystals. In the latter case, a critical…
The energy levels of hydrogen-like atoms are obtained from the phase-space quantization, one of the pillars of the old quantum theory, by three different methods - (i) direct integration, (ii) Sommerfeld's original method, and (iii) complex…
High-order harmonic generation (HHG) in aligned linear molecules can offer valuable information about strong-field interactions in lower-lying molecular orbitals, but extracting this information is difficult for three-dimensional molecular…
Klauder's recent generalization of the harmonic oscillator coherent states [J. Phys. A 29, L293 (1996)] is applicable only in non-degenerate systems, requiring some additional structure if applied to systems with degeneracies. The author…
Hydrogen bonds are typically treated as sufficiently localized directional intermolecular bonds, in which dispersion and electrostatic contributions can be distinguished. However, being formed chiefly due to the overlapping of p orbitals of…
The classical dynamics of two electrons in the Coulomb potential of an attractive nucleus is chaotic in large parts of the high-dimensional phase space. Quantum spectra of two-electron atoms, however, exhibit structures which clearly hint…
In the present work, we predict the existence of new types of hydrogenlike matter, including hydrogenlike atoms ($\pi^+e^-$, $K^+e^-$, $D^+e^-$), hydrogenlike molecular ions ($\pi^+\pi^+e^-$, $K^+K^+e^-$, $D^+D^+e^-$) and hydrogenlike…
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…
The study is aimed at revealing the most important substructures (fragments) of polyenes with heteroatoms determining the alteration in the conjugation energy of the whole compound due to substitution and the relevant charge redistribution.…
The dynamics of the spin-orbit interaction in atomic hydrogen are studied in a classical electrodynamics-like setting. A Rutherfordian atomic model is used assuming a circular electron orbit, without the quantum principle as imposed…
A numerical study has been done of collisions between protons and hydrogen atoms, treated as classical particles, at low impact velocities. The presence of chaos has been looked for by investigating the processes with standard techniques of…
A finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities, called the association-dissociation model of neutral hydrogen molecule, is described. The initial circumstances that…
The groundstate configuration and the eigenmodes of two parallel two-dimensional classical atoms are obtained as function of the inter-atomic distance (d). The classical particles are confined by identical harmonic wells and repel each…
We first argue that the covalent bond and the various closed-shell interactions can be thought of as symmetry broken versions of one and the same interaction, viz., the multi-center bond. We use specially chosen molecular units to show that…
The purpose of this article is to provide a novel approach and justification of the idea that classical physics and quantum physics can neither function nor even be conceived one without the other - in line with ideas attributed to e.g.…
Large complexes of classical particles play central roles in biology, in polymer physics, and in other disciplines. However, physics currently lacks mathematical methods for describing such complexes in terms of component particles,…
Quantum mechanics is considered to arise from an underlying classical structure (``hidden variable theory'', ``sub-quantum mechanics''), where quantum fluctuations follow from a physical noise mechanism. The stability of the hydrogen ground…
The classical invariants of a Hamiltonian system are expected to be derivable from the respective quantum spectrum. In fact, semiclassical expressions relate periodic orbits with eigenfunctions and eigenenergies of classical chaotic…
We consider a class of simple quasi one-dimensional classically non-integrable systems which capture the essence of the periodic orbit structure of general hyperbolic nonintegrable dynamical systems. Their behavior is simple enough to allow…