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In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…

Condensed Matter · Physics 2009-10-31 Claudia Filippi , C. J. Umrigar

Motivated by recent experiments on electric transport through single molecules and quantum dots, we investigate a model for transport that allows for significant coupling between the electrons and a boson mode isolated on the molecule or…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Urban Lundin , Ross H. McKenzie

We present high resolution two-photon excitation microscopy studies combining two-photon fluorescence (TPF) and second harmonic generation (SHG) in order to probe orientational distributions of molecular ensembles at room temperature. A…

Soft Condensed Matter · Physics 2007-05-23 Veronique Le Floc'h , Sophie Brasselet , Jean-Francois Roch , Joseph Zyss

We develop a mathematically simple yet accurate model for the single-pulse non-resonant impulsive alignment of thermal ensembles of linear molecules. We find that our molecular alignment model not only provides a simplification for…

Optics · Physics 2023-06-08 A. Löhr , M. Ivanov , M. Khokhlova

The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…

We study the sensitivity of the Large Hadron Collider (LHC) to top quark chromomagnetic (CMDM) and chromoelectric (CEDM) dipole moments and $Wtb$ effective couplings in single-top production in association with a $W^-$ boson, followed by…

High Energy Physics - Phenomenology · Physics 2015-10-29 Saurabh D. Rindani , Pankaj Sharma , Anthony W. Thomas

The ability to measure characteristics of source shapes using non-identical particle correlations is discussed. Both strong-interaction induced and Coulomb induced correlations are shown to provide sensitivity to source shapes. By…

Nuclear Theory · Physics 2009-11-11 Scott Pratt

When a top quark decays there is a large amount of angular correlation, in its rest frame, between its spin orientation and the direction of flight of the charged lepton from its decay. In this letter we investigate the prospects of…

High Energy Physics - Phenomenology · Physics 2009-10-20 Patrick Motylinski

Reorientational dynamics-motion defined by changes in the direction of a vector or tensor-determine relaxation behavior in nuclear magnetic resonance (NMR). However, if multiple processes exist that result in reorientation, then analyzing…

Chemical Physics · Physics 2021-11-18 Albert A. Smith

We develop a time-dependent multi-configurational numerical technique for calculating ionization by short laser pulses of many-electron molecules. The method is based on the expansion of the wave function of a molecule into the eigenstates…

Atomic Physics · Physics 2024-05-22 Vladislav V. Serov

When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…

Materials Science · Physics 2009-11-13 Kristian S. Thygesen , Angel Rubio

We report the observation of macroscopic field-free orientation, i.e. more than 73 % of CO molecules pointing in the same direction. This is achieved through an all-optical scheme operating at high particle densities ($>10^{17}$cm$^{-3}$)…

Chemical Physics · Physics 2014-07-09 P. M. Kraus , D. Baykusheva , H. J. Wörner

When circularly polarized light is scattered from a rotating target, a rotational Doppler shift (RDS) emerges from an exchange of angular momentum between the spinning object and the electromagnetic field. Here, we used coherently spinning…

Recent experiments on liquid water show collective dipole orientation fluctuations dramatically slower then expected (with relaxation time $>$ 50 ns) [D. P. Shelton, Phys. Rev. B {\bf 72}, 020201(R) (2005)]. Molecular dynamics simulations…

Soft Condensed Matter · Physics 2009-11-11 Pradeep Kumar , Giancarlo Franzese , Sergey V. Buldyrev , H. Eugene Stanley

Two particle correlations are studied in the reaction plane of peripheral relativistic heavy ion reactions where the initial state has substantial angular momentum. The earlier predicted rotation effect and Kelvin Helmholtz Instability,…

Nuclear Theory · Physics 2013-05-06 L. P. Csernai , S. Velle

We discuss a method for tracking individual molecules which globally optimizes the likelihood of the connections between molecule positions fast and with high reliability even for high spot densities and blinking molecules. Our method works…

Computer Vision and Pattern Recognition · Computer Science 2013-04-01 Andreas Karrenbauer , Dominik Wöll

Kinematical distributions of decay products of the top quark carry information on the polarisation of the top as well as on any possible new physics in the decay of the top quark. We construct observables in the form of asymmetries in the…

High Energy Physics - Phenomenology · Physics 2015-08-17 Arun Prasath , Rohini M. Godbole , Saurabh D. Rindani

Laterally coupled quantum dot molecules are studied using exact diagonalization techniques. We examine the two-electron singlet-triplet energy difference as a function of magnetic field strength and investigate the magnetization and vortex…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Helle , A. Harju , R. M. Nieminen

A new, different kind of intensity correlation, denoted as polarization based intensity correlation, is proposed and investigated to study the correlation between different polarization components of polarization speckle, which has…

Optics · Physics 2019-11-20 Abhijit Roy , Maruthi M. Brundavanam

Single molecule FRET (fluorescence resonance energy transfer) is a powerful technique for detecting real-time conformational changes and molecular interactions during biological reactions. In this review, we examine different techniques of…

Biomolecules · Quantitative Biology 2007-05-23 Ivan Rasnik , Sean A. McKinney , Taekjip Ha