Related papers: The empirical equilibrium structure of diacetylene
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at…
We apply the recursive stochastic state selection method, which is a new method for Monte Carlo study we have recently developed, to quantum spin systems with positive definite Hamiltonians. Through numerical studies of two-dimensional…
The Tribomechadynamics Research Challenge (TRC) was a blind prediction of the vibration behavior of a thin plate clamped on two sides using bolted joints. The first bending mode's natural frequency and damping ratio were requested as…
The electrical {\em dc}-conductivity of disordered, non-interacting electrons is calculated in the asymptotic limit of high lattice dimensions $d\to \infty$. To go beyond the lowest-order contribution in the expansion parameter $1/d$ of the…
We develop a general stability theory for equilibrium points of Poisson dynamical systems and relative equilibria of Hamiltonian systems with symmetries, including several generalisations of the Energy-Casimir and Energy-Momentum methods.…
Methyl benzoate (MB) is studied as a model compound for the development of new IR pulse schemes with possible applicability to biomolecules. Anharmonic vibrational modes of MB are calculated on different level (MP2, SCS, CCSD(T) with…
Accurate experimental values for the vibrational ground tone or fundamental vibrational energy splitting of H$_2$, HD, and D$_2$ are presented. Absolute accuracies of $2\times10^{-4}$ cm$^{-1}$ are obtained from Doppler-free laser…
In this work, we study of the (2+1)-dimensional Dirac oscillator in the presence of a homogeneous magnetic field in an Aharonov-Bohm-Coulomb system. To solve our system, we apply the $left$-$handed$ and $right$-$handed$ projection operators…
We study a classical model of isosceles triatomic "A-B-A" molecules. The atoms, considered mass points, interact mutually via a generic repulsive-attractive binary potential. First we show that the steady states, or relative equilibria…
The vibrational motion equations of both homo and hetero-nuclei diatomic molecules are here derived for the first time. A diatomic molecule is first considered as a one dimensional quantum mechanics oscillator. The second and third-order…
We present a classification of conformally-invariant three-point tensor structures in $d$ dimensions that parallels the classification of three-particle scattering amplitudes in $d+1$ dimensions. Using a set of canonically-normalized…
We investigate the structure and equilibrium linear-response dynamics of suspensions of hard colloidal dumbbells using Brownian Dynamics computer simulations. The focus lies on the dense fluid and plastic crystal states of the colloids with…
The supersymmetric reformulation of physical observables in the Chalker-Coddington model (CC) for the plateau transition in the integer quantum Hall effect leads to a reformulation of its critical properties in terms of a 2D non-compact…
We develop a systematic effective field theory framework for studying $|\Delta B|=2$ interactions across energy scales. Using chiral symmetry, we construct the complete and non-redundant set of operators governing these interactions at low…
Using a series of increasingly refined wavefunction methods able to tackle electronic excited states, namely ADC(2), CC2, CCSD, CCSDR(3) and CC3, we investigate the interplay between geometries and 0-0 energies. We show that, due to a…
The thermodynamics and dynamics of a one dimensional dimer-forming anharmonic model is studied in the classical limit. This model mimics the behavior of materials with a Peierls instability. Specific heat, correlation length, and order…
It has been shown repeatedly over a period of 50 years that the use of relativistic classical physics and the inclusion of classical electromagnetic zero-point radiation leads to the Planck blackbody spectrum for classical radiation…
We use first-principles techniques to re-examine the suggestion that transitions seen in high-P experiments on Mo are solid-solid transitions from the bcc structure to either the fcc or hcp structures. We confirm that in the harmonic…
We present a short summary for the calculations of the nucleon $\textit{isovector}$ form factors, which are relevant to improving the accuracy of the current neutrino oscillation experiments. The calculations are carried out with two of…
The stability of the orbital motion of two long cylindrical magnets interacting exclusively with magnetic forces is described. To carry out analytical studies a model of magnetically interacting symmetric tops [1] is used. The model was…