相关论文: Second-order perturbation theory with spin-symmetr…

The past several years have seen renewed interest in the use of symmetry-projected Hartree-Fock for the description of strong correlations. Unfortunately, these symmetry-projected mean-field methods do not adequately account for dynamic…

The idea of adaptive perturbation theory is to divide a Hamiltonian into a solvable part and a perturbation part. The solvable part contains the non-interacting sector and the diagonal elements of Fock space from the interacting terms. The…

We propose an improved scheme of perturbation theory based on our exact solution [An Min Wang, quant-ph/0611216] in general quantum systems independent of time. Our elementary start-point is to introduce the perturbing parameter as late as…

The perturbation method is an approximation scheme with a solvable leading order. The standard way is to choose a non-interacting sector for the leading order. The adaptive perturbation method improves the solvable part by using all…

Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression that we were able to decipher. While the form of the…

A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…

Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…

This work implements pionless effective field theory with the two-nucleon system expanded around the unitarity limit at second order perturbation theory. The expansion is found to converge well. All Coulomb effects are treated in…

The second-order directional wavemaker theory for regular and irregular waves is extended to multi-hinged wavemakers and combined piston--flap wavemaker systems. Derived expressions enable second-order signal correction, common in…

The Hartree-Fock approximation for bosons employs variational wave functions that are a combination of permanents. These are bosonic counterpart of the fermionic Slater determinants, but with the significant distinction that the…

We show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth order Hamiltonian, the cost of a recently-introduced perturbative correction to excited state mean field theory can be reduced…

We present an approach to renormalized second-order Green's function perturbation theory (GF2) which avoids all dependency on continuous variables, grids or explicit Green's functions, and is instead formulated entirely in terms of static…

A new general approach is introduced for definining an optimum zero-order Hamiltonian for Rayleigh-Schr\"odinger perturbation theory. Instead of taking the operator directly from a model problem, it is constructed to be a best fit to the…

We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…

Deformation is fundamental to understanding nuclear structure. We compare two ways to efficiently realize deformation for many-fermion wavefunctions, the leading SU(3) irrep and the angular-momentum projected Hartree-Fock state. In the…

Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlation but does not properly describe weakly correlated systems. Coupled cluster theory, in contrast, does the opposite. It therefore seems natural…

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 report results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree Fock states to eigenstates of the total spin and the angular momentum for harmonic quantum dots with $N\leq 12$…

In this paper, higher-order perturbation theory is applied and tailored to one-dimensional ring-shaped Bose-Hubbard systems. Spectral and geometrical properties are used to structurally simplify the contributions and reduce computational…

For a system of spinless fermions in a disordered mesoscopic ring, interactions can give rise to an enhancement of the persistent current by orders of magnitude. The increase in the current is associated with a charge reorganization of the…