Related papers: Evaluation of modified Hantush's function
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The Hamiltonian of mean force (HMF) provides the standard starting point for strong-coupling thermodynamics, yet explicit operator forms are known only in restricted settings. We present a quenched density framework that uses the…
High accuracy helium wave functions based on exponentials with random coefficients are transformed into momentum space. The utility of the wave functions is demonstrated through calculation of the expectation value of various operators…
Integrating seminal ideas of London, Feynman, and Feenberg, this paper continues the development of an ab initio theory of the lambda transition in liquid 4He. The theory is based on variational determination of a trial density matrix…
The energetics of the gas-phase S$_N$2 reactions Y$^-$ + CH$_3$X $\longrightarrow$ CH$_3$Y + X$^-$ (where X,Y = F, Cl, Br), were studied using (variants on) the recent W1 and W2 {\em ab initio} computational thermochemistry methods. Our…
Empirical fitting of parameters in approximate density functionals is common. Such fits conflate errors in the self-consistent density with errors in the energy functional, but density-corrected DFT (DC-DFT) separates these two. We…
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Computation of electromagnetic fields due to point sources (Hertzian dipoles) in cylindrically stratified media is a classical problem for which analytical expressions of the associated tensor Green's function have been long known. However,…
This paper reviews some recent applications of the theory of the compensated convex transforms or of the proximity hull as developed by the authors to image processing and shape interrogation with special attention given to the Hausdorff…
We study the problem of a quantum quench in which the initial state is the ground state of an inhomogeneous hamiltonian, in two different models, conformal field theory and ordinary free field theory, which are known to exhibit…
Finite difference method and finite element method are popular methods for solving groundwater flow equations. This paper presents a new method that uses gradually varied functions to solve such equation. In this paper, we have established…
We study the martingale formulation of the two-dimensional stochastic heat equation (SHE) at criticality. The main theorem proves an exact recursive-type equation that expresses the covariation measures of the SHE in terms of the solutions…
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In this study, a radial 2D analytical approach has been developed to couple the wellbore heating process and the associated methane hydrate dissociation in the reservoir. A coaxial wellbore is assumed as the heat source where both…
A well-known approach to describe the dynamics of an open quantum system is to compute the master equation evolving the reduced density matrix of the system. This approach plays an important role in describing excitation transfer through…
Recently it was discovered that altering the shape of the meta stable and unstable branches of an equation of state (EOS) can greatly improve the numerical accuracy of liquid and gas densities in the pseudopotential method. Inspired by this…
Generalized Hydrodynamics (GHD) has recently been devised as a method to solve the dynamics of integrable quantum many-body systems beyond the mean-field approximation. In its original form, a major limitation is the inability to predict…
A heat pump model utilizing the Dufour effect is proposed and studied by numerical and theoretical analysis. Numerically, we perform MD simulations of this system and measure the cooling power and the coefficient of performance (COP) as…
This paper provides a systematic investigation of the mathematical structure of path measures and their profound connections to stochastic differential equations (SDEs) through the framework of second-order Hamilton--Jacobi (HJ) equations.…
Knowledge of the underlying mechanisms of multiphase flow dynamics in porous media is crucial for optimizing subsurface engineering applications like geological carbon sequestration. However, studying the micro-mechanisms of multiphase…