相关论文: Solid molecular hydrogen: The Broken Symmetry Phas…
The rotational sublevels of the key (000) and (010) vibrational states of the H2S molecule were modeled with an accuracy close to experimental uncertainty using the generating function and Euler approaches. The predictive ability of the…
The term values of all rotational levels of the $^4$He${_2}^+\,X^+\,^2\Sigma_u^+\,(\nu^+=0)$ ground vibronic state with rotational quantum number $N^+\le 19$ have been determined with an accuracy of 8 x 10$^{-4}$ cm$^{-1}$ ($\sim{25}$ MHz)…
We consider the rotational dynamics in an ensemble of globally coupled identical pendulums. This model is essentially a generalization of the standard Kuramoto model, which takes into account the inertia and the intrinsic nonlinearity of…
We relate here the vacuum structure of chiral symmetry breaking to a wide class of low energy hadronic properties to examine consistency with experimental results. Phase transition of chiral symmetry breaking is described through explicit…
Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the $X ^{1}\Sigma_{g}^{+}, v=0$ vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the…
In this paper, we investigate the ground state properties of a mixture of two species of fermionic atoms in one-dimensional optical lattice, as described by the asymmetric Hubbard model. The quantum phase transition from density wave to…
We present a unified view of orientational ordering in phases I, II, and III of solid hydrogen. Phases II and III are orientationally ordered, while the ordering objects in phase II are angular momenta of rotating molecules, and in phase…
This paper presents symmetry classes of the Hartree-Fock (HF) solutions of spin and orbital ordered states in a t_{2g} Hubbard model on a two-dimensional square lattice. Using a group theoretical bifurcation theory of the Hartree Fock…
We devise a framework to compute accurate phonons in molecular crystals even in case of strong quantum anharmonicity. Our approach is based on the calculation of the static limit of the phononic Matsubara Green's function from path integral…
We perform a three dimensional lattice simulation of the electroweak symmetry breaking process through a two-step phase transition, where one of the two steps is a first order phase transition. Our results show that: 1) when the electroweak…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…
We study the second harmonic generation (SHG) in a suspension of small spherical particles confined within a slab, assuming undepleted pump and applying (i) single scattering approximation and (ii) diffusion approximation. In the case (i),…
A geometric analysis of the $sdg$ interacting boson model is performed. A coherent-state is used in terms of three types of deformation: axial quadrupole ($\beta_2$), axial hexadecapole ($\beta_4$) and triaxial ($\gamma_2$). The…
We study the electronic and lattice dynamical properties of compressed solid germane in the pressure range up to 200 GPa with density functional theory. A stable metallic structure, Aba2, with a base-centered orthorhombic symmetry was found…
Using molecular dynamics simulation, we study structural and dynamical heterogeneities at melting in two-dimensional one-component systems with 36000 particles. Between crystal and liquid we find intermediate hexatic states, where the…
The reliability of the approximations commonly adopted in the calculation of static optical (hyper)polarizabilities is tested against exact results obtained for an interesting toy-model. The model accounts for the principal features of…
An SU(2) lattice gauge theory with two doublets of complex scalar fields is considered. All continuous symmetries are identified and, using the nonperturbative methods of lattice field theory, the phase diagram is mapped out by direct…
The high-pressure phases of solid hydrogen are of fundamental interest and relevant to the interior of giant planets; however, knowledge of these phases is far from complete. Particle swarm optimization (PSO) techniques were applied to a…
Recently, the prospects for amorphous phases of graphene (a-G) have been explored computationally. Initial models were flat, and contained odd-member rings, while maintaining three-fold coordination and sp2 bonding. Upon relaxation,…