Related papers: Green function theory versus Quantum Monte Carlo c…
We present a second-order Green's-function theory of the one- and two-dimensional S=1/2 ferromagnet in a magnetic field based on a decoupling of three-spin operator products, where vertex parameters are introduced and determined by exact…
Ab initio calculations of the Gamow-Teller (GT) matrix elements in the $\beta$ decays of $^6$He and $^{10}$C and electron captures in $^7$Be are carried out using both variational and Green's function Monte Carlo wave functions obtained…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
The magnetization (M) as a function of temperature (T) from 2 to 300 K and in-plane field (H) up to 1 kOe, room temperature easy and hard direction in-plane field hysteresis loops for fields between -100 and +100 Oe, and 10 GHz…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
We introduce a Diagrammatic Monte Carlo (DiagMC) approach to angular momentum properties of quantum many-particle systems possessing a macroscopic number of degrees of freedom. The treatment is based on a diagrammatic expansion that merges…
We review an approach where the energy functional of Density-Functional Theory (DFT) can be determined without empiricism via a Quantum Monte Carlo (QMC) procedure. The idea consists of a nested iterative loop where the configurational…
The low-temperature properties of one and two layers of parahydrogen adsorbed on graphite are investigated theoretically through Quantum Monte Carlo simulations. We adopt a microscopic model that explicitly includes the corrugation of the…
The three-dimensional anisotropic classical XY ferromagnet has been investigated by extensive Monte Carlo simulation using the Metropolis single spin flip algorithm. The magnetization ($M$) and the susceptibility ($\chi$) are measured and…
The anisotropy of MgB2 is still under debate: its value, strongly dependent on the sample and on the measuring method, ranges between 1.2 and 13. In this work we present our results on a MgB2 c-oriented superconducting thin film. To…
For a long time, people have been focusing on how to extract more information, such as off-diagonal observables, from the quantum Monte Carlo (QMC) simulation of the partition function, but there have been numerous difficulties, and many of…
We study the effects of frustration in an antiferromagnetic film of FCC lattice with Heisenberg spin model including an Ising-like anisotropy. Monte Carlo (MC) simulations have been used to study thermodynamic properties of the film. We…
We report the observation of ferromagnetic resonance (FMR) and the determination of the magnetocrystalline anisotropy in (100)-oriented single-crystalline thin film samples of GaMnP with x=0.042. The contributions to the magnetic anisotropy…
It is demonstrated by SQUID measurements that (Ga,Mn)As films can exhibit perpendicular easy axis at low temperatures, even under compressive strain, provided that the hole concentration is sufficiently low. In such films, the easy axis…
We study the critical behavior of magnetic thin films as a function of the film thickness. We use the ferromagnetic Ising model with the high-resolution multiple histogram Monte Carlo (MC) simulation. We show that though the 2D behavior…
Two techniques of measurements of thin film magnetostriction are compared: direct, when changes of the substrate curvature caused by the film magnetization are controlled, and inverse ("indirect"), when the modification of the magnetic…
Images of surface topography of ultrathin magnetic films have been used for Monte Carlo simulations in the framework of the ferromagnetic Ising model to study the hysteresis and thermal properties of nanomaterials. For high performance…
The reorientation transition of the magnetization of ferromagnetic films is studied on a microscopic basis within Heisenberg spin models. Analytic expressions for the temperature dependent anisotropy are derived from which it is seen that…
In this paper it is shown how the generating functional for Green's functions in relativistic quantum field theory and in thermal field theory can be evaluated in terms of a standard quantum mechanical path integral. With this calculational…
Quantum Monte Carlo (QMC) is a powerful method to calculate accurate energies and forces for molecular systems. In this work, we demonstrate how we can obtain accurate QMC forces for the fluxional ethanol molecule at room temperature by…