Related papers: $t \to 0$ extrapolation function in SF$t$X method …
Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…
The Mott transition is usually considered as resulting from the divergence of the effective mass of the quasiparticle in the Fermi-liquid theory; the dispersion relation around the Fermi level is considered to become flat towards the Mott…
In the theory of extended irreversible thermodynamics (EIT), the flux-dependent entropy function plays a key role and has a fundamental distinction from the usual flux-independent entropy function adopted by classical irreversible…
A polemic arose recently about the applicability of the $t$-expansion method to the calculation of the ground state energy $E_0$ of the Rabi model. For specific choices of the trial function and very large number of involved connected…
We present preliminary results for meson spectral functions at nonzero momentum, obtained from quenched lattice QCD simulations at finite temperature using the Maximal Entropy Method. Twisted boundary conditions are used to have access to…
We discuss the conditions for an effective field theory (EFT) to give an adequate low-energy description of an underlying physics beyond the Standard Model (SM). Starting from the EFT where the SM is extended by dimension-6 operators,…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…
We study the Fluctuation Theorem (FT) for entropy production in chaotic discrete-time dynamical systems on compact metric spaces, and extend it to empirical measures, all continuous potentials, and all weak Gibbs states. In particular, we…
The entropy of the two-dimensional $t$-$J$ model is investigated using its 12th order high temperature series. A direct Pad\'{e} extrapolation of the entropy series doesn't converge well for temperatures below $T\sim J$. The series…
The number and properties of the neutrons and photons emitted in nuclear fission are directly related to the excitation energy of the fission fragments when they are formed at scission. Though not observable experimentally because of the…
The energy-momentum tensor of Matrix Theory is derived by computing disk amplitudes with one closed string and an arbitrary number of open strings and by taking the DKPS limit. We clarify its relation to the energy-momentum tensor of the…
An asymptotic scaling theory is presented using the conceptual basis of trapping-free subspace (i.e., orthogonal subspace) to establish the generic mechanism of optimal efficiency of excitation energy transfer (EET) in light-harvesting…
The objective of this work is to determine the nonlinear flux-force relations for systems out of Onsager's region that respect the existing thermodynamic theorems for systems far from equilibrium. To this aim, a thermodynamic theory for…
Efficient solvers for tensor eigenvalue problems are important tools for the analysis of higher-order data sets. Here we introduce, analyze and demonstrate an extrapolation method to accelerate the widely used shifted symmetric higher order…
We show that effective field theory techniques can be efficiently used to compute power corrections to the hard thermal loops (HTL) in a high temperature T expansion. To this aim, we use the recently proposed on-shell effective field theory…
The energy minimization involved in density functional calculations of electronic systems can be carried out using an exponential transformation that preserves the orthonormality of the orbitals. The energy of the system is then represented…
Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a machine learning technique, multi-layer perceptrons, as a tool to…
We develop a method that uses truncation-order-dependent re-expansions constrained by generic strong-coupling information to extrapolate perturbation series to the nonperturbative regime. The method is first benchmarked against a…
A function $f=f_T$ is called least energy approximation to a function $B$ on the interval $[0,T]$ with penalty $Q$ if it solves the variational problem $$ \int_0^T \left[ f'(t)^2 + Q(f(t)-B(t)) \right] dt \searrow \min. $$ For quadratic…
We consider the emphatic temporal-difference (TD) algorithm, ETD($\lambda$), for learning the value functions of stationary policies in a discounted, finite state and action Markov decision process. The ETD($\lambda$) algorithm was recently…