Search results for "Integral form"
showing 10 items of 71 documents
Quantum simulations in materials science: molecular monolayers and crystals
1999
Low temperature properties and anomalies in crystals and molecular monolayers are studied by path integral Monte Carlo (PIMC) simulations. For light particles (H 2 , D 2 ) adsorbed on graphite anomalies in the transition to the low temperature √3-phases have been observed in experiments and are analyzed by PIMC. The computed thermal expansion of various crystalline materials (Si, N 2 ) is in much better agreement with experiments compared to the results obtained with purely classical simulations.
Elastic Constants of Quantum Solids by Path Integral Simulations
2000
Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other method is based on simulations in the (NpT) ensemble exploiting the relationship between strain fluctuations and elastic constants. The strengths and weaknesses of the methods are discussed thoroughly. We show how one can reduce statistical and systematic errors associated with so-called primitive estimators. The methods are then applied to solid argon at atmospheric pressures and solid helium 3 (hcp, fcc, and bcc) under varying pressures. Good agreement with …
Quantum effects on the herringbone ordering ofN2on graphite
1993
The effects of quantum fluctuations on the ``2-in'' herringbone ordering in a realistic model of 900 ${\mathrm{N}}_{2}$ molecules adsorbed in the (\ensuremath{\surd}3 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}3 )R30\ifmmode^\circ\else\textdegree\fi{} structure on graphite are studied via path-integral Monte Carlo (PIMC) simulations. Quasiclassical and quasiharmonic calculations agree for high and low temperatures, respectively, but only PIMC gives satisfactory results over the entire temperature range. We can quantify the lowering of the transition temperature and the depression of the ground state order to 10% as compared to classical modeling.
Gradual freezing of orientational degrees of freedom in cubicAr1−x(N2)xmixtures
1995
The mixed crystal ${\mathrm{Ar}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$(${\mathrm{N}}_{2}$${)}_{\mathit{x}}$ is studied by Monte Carlo (MC) methods for x=0.33, 0.67, and 1.0 over a wide range of temperatures. For x=1 we find first-order transition from ordered cubic to disordered cubic, while for x=0.33 and x=0.67 we find broad nonuniform distribution functions of the local quadrupole Edwards-Anderson order parameter at low temperature. The short-range order of the quadrupolar mass distribution of the ${\mathrm{N}}_{2}$ molecules in the mixed systems is different from that observed in the pure ${\mathrm{N}}_{2}$ crystal, although the fcc symmetry has been chosen for the translational degrees…
The response field and the saddle points of quantum mechanical path integrals
2021
In quantum statistical mechanics, Moyal's equation governs the time evolution of Wigner functions and of more general Weyl symbols that represent the density matrix of arbitrary mixed states. A formal solution to Moyal's equation is given by Marinov's path integral. In this paper we demonstrate that this path integral can be regarded as the natural link between several conceptual, geometric, and dynamical issues in quantum mechanics. A unifying perspective is achieved by highlighting the pivotal role which the response field, one of the integration variables in Marinov's integral, plays for pure states even. The discussion focuses on how the integral's semiclassical approximation relates to…
Simplicial Wheeler-DeWitt equation in 2+1 spacetime dimensions.
1993
We introduce an equation which rue suggest to be a simplicial counterpart to the Wheeler-DeWitt equation in 2 + 1 spacetime dimensions. Our approach is based on the use of the Ashtekar variables
A simple microsuperspace model in 2 + 1 spacetime dimensions
1992
Abstract We quantize the closed Friedmann model in 2 + 1 spacetime dimensions using euclidean path-integral approach and a simple microsuperspace model. A relationship between integration measure and operator ordering in the Wheeler-DeWitt equation is found within our model. Solutions to the Wheeler-DeWitt equation are exactly reproduced from the path integral using suitable integration contours in the complex plane.
Bare Action and Regularized Functional Integral of Asymptotically Safe Quantum Gravity
2009
Investigations of Quantum Einstein Gravity (QEG) based upon the effective average action employ a flow equation which does not contain any ultraviolet (UV) regulator. Its renormalization group trajectories emanating from a non-Gaussian fixed point define asymptotically safe quantum field theories. A priori these theories are, somewhat unusually, given in terms of their effective rather than bare action. In this paper we construct a functional integral representation of these theories. We fix a regularized measure and show that every trajectory of effective average actions, depending on an IR cutoff only, induces an associated trajectory of bare actions which depend on a UV cutoff. Together …
Coordinate-free quantization of first-class constrained systems
1996
The coordinate-free formulation of canonical quantization, achieved by a flat-space Brownian motion regularization of phase-space path integrals, is extended to a special class of closed first-class constrained systems that is broad enough to include Yang-Mills type theories with an arbitrary compact gauge group. Central to this extension are the use of coherent state path integrals and of Lagrange multiplier integrations that engender projection operators onto the subspace of gauge invariant states.
Green functions for nearest- and next-nearest-neighbor hopping on the Bethe lattice
2005
We calculate the local Green function for a quantum-mechanical particle with hopping between nearest and next-nearest neighbors on the Bethe lattice, where the on-site energies may alternate on sublattices. For infinite connectivity the renormalized perturbation expansion is carried out by counting all non-self-intersecting paths, leading to an implicit equation for the local Green function. By integrating out branches of the Bethe lattice the same equation is obtained from a path integral approach for the partition function. This also provides the local Green function for finite connectivity. Finally, a recently developed topological approach is extended to derive an operator identity whic…