相关论文: Operator method in solving non-linear equations of…
We formulate the Hartree-Fock method using a functional integral approach. Then we consider a nonperturbative component of the vacuum polarization. For the Dirac-Coulomb operator the renormalization flow of the vacuum polarization is…
The eigenvalue problem for one-dimensional Schr\"{o}dinger equation with the rational potential is numerically solved by the operator method. We show that the operator method, applied for solving the Schr\"{o}dinger equation with the…
The Allen-Cahn equation is solved numerically by operator splitting Fourier spectral methods. The basic idea of the operator splitting method is to decompose the original problem into sub-equations and compose the approximate solution of…
The port-Hamiltonian approach presents an energy-based modeling of dynamical systems with energy-conservative and energy-dissipative parts as well as an interconnection over the so-called ports. In this paper, we apply an operator splitting…
The energy levels of the first few low-lying states of helium and lithium atoms in intense magnetic fields up to $\approx 10^8-10^9$~T are calculated in this study. A pseudospectral method is employed for the computational procedure. The…
Operator splitting methods allow to split the operator describing a complex dynamical system into a sequence of simpler subsystems and treat each part independently. In the modeling of dynamical problems, systems of (possibly coupled)…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
The obstacle problem is a class of free boundary problems which finds applications in many disciplines such as porous media, financial mathematics and optimal control. In this paper, we propose two operator-splitting methods to solve the…
A general procedure based on shift operators is formulated to deal with anharmonic potentials. It is possible to extract the ground state energy analytically using our method provided certain consistency relations are satisfied. Analytic…
The Hartree-Fock equation which is the Euler-Lagrange equation corresponding to the Hartree-Fock energy functional is used in many-electron problems. Since the Hartree-Fock equation is a system of nonlinear eigenvalue problems, the study of…
The Feynman all-coupling variational approach for the polaron is re-formulated and extended using the Hamiltonian formalism with time-ordered operator calculus. Special attention is devoted to the excited polaron states. The energy levels…
A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…
It is common in classical mechanics to encounter systems whose Hamiltonian $H$ is the sum of an often exactly integrable Hamiltonian $H_0$ and a small perturbation $\epsilon H_1$ with $\epsilon\ll1$. Such near-integrability can be exploited…
Erratum to Int. J. Quantum Chem. v. 89, pp. 57-85 (2002)
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
The ground-state phase diagrams of the three-orbital t2g Hubbard model are studied using a Hartree-Fock approximation. First, a complete set of multipolar order parameters for t2g models defined in terms of the effective total angular…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
We study a generalized defocusing Hartree equation with nonlocal exchange potential and repulsive Hartree--Fock interaction. Using an inverse optimal problem (IOP) approach, we prove the existence and uniqueness of ground state solutions.…
We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…
We propose asymmetric factorization method for supersymmetry involving complex operators. Model Hamiltonians satisfy supersymmetric energy conditions $E_{n}^{(+)}=E_{n+1}^{(-)}$; $E_{0}^{(-)}=0$.