相关论文: Correlation Energy Estimators based on M{\o}ller-P…
We discuss the problem of regularizing correlators in conformal field theories. The only way to do it in coordinate space is to interpret them as distributions. Unfortunately except for the simplest cases we do not have tabulated…
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the…
We compute all third-order local invariants accessible via randomised measurements and employ them to derive separability criteria. The reconstruction of the invariants yields experimentally accessible entanglement criteria for multipartite…
This paper demonstrates that a computer aided perturbation theory can easily be realized by use of a cumulant approach. In contrast to a recent alternative formulation on the basis of Wegner's flow equation method the present approach can…
We show that, in the high-density limit, restricted M{\o}ller-Plesset (RMP) perturbation theory yields $E_{\text{RMP}}^{(2)} = \pi^{-2}(1-\ln 2) \ln r_s + O(r_s^0)$ for the correlation energy per electron in the uniform electron gas, where…
A finite-temperature perturbation theory for the grand canonical ensemble is introduced that expands chemical potential in a perturbation series and conserves the average number of electrons, ensuring charge neutrality of the system at each…
The regularity of the solution of elliptic partial differential equa- tions in a polygonal domain with re-entrant corners is, in general, reduced compared to the one on a smooth convex domain. This results in a best approximation property…
Quantum chemical methods dealing with challenging systems while retaining low computational costs have attracted attention. In particular, many efforts have been devoted to developing new methods based on the second-order perturbation that…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
A finite element discretization using a method of lines approached is proposed for approximately solving the Poisson-Nernst-Planck (PNP) equations. This discretization scheme enforces positivity of the computed solutions, corresponding to…
In power system steady-state estimation (PSSE), one needs to consider (1) the need for robust statistics, (2) the nonconvex transmission constraints, (3) the fast-varying nature of the inputs, and the corresponding need to track optimal…
We discuss the use of the optimization procedure based on the Principle of Minimal Sensitivity to the third-order calculation of {\mbox{${R_{e^+e^-}}$}}. The effective coupling constant remains finite allowing us to apply the…
The usual procedure of including a finite number of vertices in Non Perturbative Renormalization Group equations in order to obtain $n$-point correlation functions at finite momenta is analyzed. This is done by exploiting a general method…
A polynomial approximation of the minimum energy estimator, also called Mortensen observer, is discussed. The method relies on successive differentiations of an underlying value function and the Hamilton-Jacobi-Bellman equation,…
We propose a staggered mesh method for correlation energy calculations of periodic systems under the random phase approximation (RPA), which generalizes the recently developed staggered mesh method for periodic second order…
We develop a cubic scaling approach to excited-state-specific second order perturbation theory in which the completeness of a local correlation treatment is carefully matched between the ground and excited state. With this matching, the…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…
We propose a cluster simulation algorithm for statistical ensembles with fixed order parameter. We use the tethered ensemble, which features Helmholtz's effective potential rather than Gibbs's free energy, and in which canonical averages…
We present and analyze results of the relativistic coupled-cluster calculation of energies, hyperfine constants, and dipole matrix elements for the $2s$, $2p_{1/2}$, and $2p_{3/2}$ states of Li atom. The calculations are complete through…