Related papers: Improving Potential Energy Surfaces Using Experime…
We present an analytical model for calculating the thermodynamic properties of monoatomic liquids using a rough potential energy surface (PES). The PES is transformed into an equivalent simple harmonic oscillator. Without employing any…
Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD ($v=1, \…
We analyze deficiencies of commonly used Coulomb approximations in Generalized Born solvation energy calculation models and report a development of a new fast surface-based method (FSBE) for numerical calculations of the solvation energy of…
Magnetic Feshbach resonances are an invaluable tool for controlling ultracold atoms and molecules. They can be used to tune atomic interactions and have been used extensively to explore few- and many-body phenomena. They can also be used…
Mesh distortion optimization is a popular research topic and has wide range of applications in computer graphics, including geometry modeling, variational shape interpolation, UV parameterization, elastoplastic simulation, etc. In recent…
Potential Energy Surface for the ($\mathrm{\bar{p}} - \mathrm{He}^{2+} - \mathrm{He}$) system is calculated in the framework of the restricted (singlet spin state) Hartree-Fock method with subsequent account of the electronic correlations…
For the prototypical diatomic-molecule - diatomic molecule interactions H2-HX and H2-X2, where X = F, Cl, Br, quantum-chemical ab initio calculations are carried out on grids of the configuration space, which permit a spherical-harmonics…
Electrical properties (EP), namely permittivity and electric conductivity, dictate the interactions between electromagnetic waves and biological tissue. EP can be potential biomarkers for pathology characterization, such as cancer, and…
We study the association and dissociation dynamics of weakly bound heteronuclear Feshbach molecules using transverse RF-fields for expected parameters accessible through the microgravity environment of NASA's Cold Atom Laboratory (CAL)…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
Computational chemistry has become an important tool to predict and understand molecular properties and reactions. Even though recent years have seen a significant growth in new algorithms and computational methods that speed up quantum…
Aberration-corrected environmental transmission electron microscopy (ETEM) enables atomic-resolution imaging of dynamic catalytic processes. Correlating atomic-scale structural changes with reaction products detected by mass spectrometry…
It was recently shown (A. Bulgac. Phys. Rev. Lett. {\bf 89}, 050402 (2002)) that an entirely new class of quantum liquids with widely tunable properties could be manufactured from bosons (boselets), fermions (fermilets) and their mixtures…
The concept of potential energy landscapes is applied in many areas of science. We experimentally realize a random potential energy landscape (rPEL) to which colloids are exposed. This is achieved exploiting the interaction of matter with…
We study the conversion efficiency of heteronuclear Feshbach molecules in population imbalanced atomic gases formed by ramping the magnetic field adiabatically. We extend the recent work [J. E. Williams et al., New J. Phys., 8, 150 (2006)]…
Electromagnetic metasurfaces offer the capability to realize almost arbitrary power conserving field transformations. These field transformations are governed by the generalized sheet transition conditions, which relate the tangential…
We have measured the interaction energy and three-body recombination rate for a two-component Fermi gas near a narrow Feshbach resonance and found both to be strongly energy dependent. Even for deBroglie wavelengths greatly exceeding the…
An attempt is made to bypass spectral analysis and fit internal coordinates of radicals directly to experimental liquid- and solid-state electron spin resonance (ESR) spectra. We take advantage of the recently introduced large-scale spin…
The physics of Feshbach resonance is analyzed using an analytic expression for the $s$-wave scattering phase-shift and the scattering length $a$ which we derive within a two-channel tight-binding model. Employing a unified treatment of…
Collisional (de-)excitation of H$_{2}$ by helium plays an important role in the thermal balance and chemistry of various astrophysical environments, making accurate rate coefficients essential for the interpretation of observations of the…