Related papers: Relativistic semistochastic heat-bath configuratio…
We consider and compare four Hamiltonian formulations of thermostated mechanics, three of them kinetic, and the other one configurational. Though all four approaches ``work'' at equilibrium, their application to many-body nonequilibrium…
We introduce an algorithm for sampling many-body quantum states in Fock space. The algorithm efficiently samples states with probability approximately proportional to an arbitrary function of the second-quantized Hamiltonian matrix element…
Addressing both dynamic and static correlation accurately is a primary goal in electronic structure theory. Non-orthogonal configuration interaction (NOCI) is a versatile tool for treating static correlation, offering chemical insights by…
A new technique for constructing the relativistic wave equation for the two-body system composed of the spin-1/2 and spin-0 particles is proposed. The method is based on the extension of the SL(2,C) group to the Sp(4,C) one. The obtained…
In the present letter, it is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual…
By properly generalizing Nozie`res' Fermi liquid theory, we construct an Hamiltonian approach to the scattering of conduction electrons off a spin-1/2 impurity in the ovescreneed Kondo regime, as T -> 0. We derive the S-matrix at the…
Heat conduction phenomena are studied theoretically using computer simulation. The systems are crystal with nonlinear interaction, and fluid of hard-core particles. Quasi-one-dimensional system of the size of $L_x\times L_y\times L_z(L_z\gg…
The configuration interaction (CI) is a versatile wavefunction theory for interacting fermions but it involves an extremely long CI series. Using a symmetric tensor decomposition (STD) method, we convert the CI series into a compact and…
We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons)…
An approximate quantum-mechanical two-body equation for spinless particles incorporating relativistic kinematics is derived. The derivation is based on the relativistic energy-momentum relation $mc^{2}+\epsilon =…
The conventional Langevin equation offers a mathematically convenient framework for investigating open stochastic systems interacting with their environment or a bath. However, it is not suitable for a wide variety of systems whose dynamics…
The mapping between the fermion and spinon compositions of eigenstates in the one-dimensional spin-1/2 XX model on a lattice with N sites is used to describe the spinon interaction from two different perspectives: (i) For finite N the…
The ground state energy and pairing gap of the interacting Fermi gases calculated by the {\it ab initio} stochastic method are compared with those estimated from the Bardeen-Cooper-Schrieffer pairing Hamiltonian. We discuss the ingredients…
Based on self-consistent field (SCF) atomic mean-field (amf) quantities, we present two simple, yet computationally efficient and numerically accurate matrix-algebraic approaches to correct both scalar-relativistic \textit{and} spin-orbit…
In this paper, we continue our investigation of a one-dimensional, two-component, quantum many-body system in which like particles interact with a pair potential $s(s+1)/{\rm sinh}^{2}(r)$, while unlike particles interact with a pair…
We consider the AdS/dS CFT correspondence and study the nature of the thermal bath of the de Sitter field theory using holography. Unlike the temperature of a thermal field theory in flat spacetime, the temperature of a superconformal field…
We investigate spin and heat currents in the non-equilibrium steady state of inhomogeneous $XX$-spin chains, which act as interfaces between two bosonic heat baths. Using special functions that diagonalize the single-particle Hamiltonian,…
Doubly occupied configuration interaction (DOCI), the exact diagonalization of the Hamiltonian in the paired (seniority zero) sector of the Hilbert space, is a combinatorial cost wave function that can be very efficiently approximated by…
The ground state of the $S=1/2$ kagome Heisenberg antiferromagnet is now recognized as a spin liquid, but its precise nature remains unsettled, even if more and more clues point towards a gapless spin liquid. We use high temperature series…
The interaction of two excited hydrogen atoms in metastable states constitutes a theoretically interesting problem because of the quasi-degenerate 2P_{1/2} levels which are removed from the 2S states only by the Lamb shift. The total…