Related papers: Coulomb matrix elements in multi-orbital Hubbard m…
In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the N-particle Schrodinger wavefunction…
Quantum Monte Carlo (QMC) methods are one of the most important tools for studying interacting quantum many-body systems. The vast majority of QMC calculations in interacting fermion systems require a constraint to control the sign problem.…
We present a linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. The resulting method is systematically improvable and well suited to large-scale quantum mechanical calculations in which…
We present $\vec{k}$-dependent one-particle spectra and corresponding effective bandstructures for the $2d$ Hubbard model calculated within the dynamical molecular field theory (DMFT). This method has proven to yield highly nontrivial…
The possibility of determining cosmological parameters on the basis of a wide set of observational data including the Abell-ACO cluster power spectrum and mass function, peculiar velocities of galaxies, the distribution of Ly-$\alpha$…
The present work suggests rigorous criteria to determine phase transitions in Coulomb crystals in a linear ion trap. The proposed method is based on the analysis of a cross size $\rho_i$ and relative polar angle between neighboring…
The set of covariance matrices of a continuous-variable quantum system with a finite number of degrees of freedom is a strict subset of the set of real positive-definite matrices due to Heisenberg's uncertainty principle. This has the…
Electronic properties of quasi-two-dimensional molecular conductors $X$[Pd(dmit)$_2$]$_2$ are studied theoretically. We construct an effective model based on the fragment molecular orbital scheme developed recently, which can describe the…
A new formulation is presented for a variational calculation of $N$-body systems on a correlated Gaussian basis with arbitrary angular momenta. The rotational motion of the system is described with a single spherical harmonic of the total…
We derive a formalism, the separation method, for the efficient and accurate calculation of two-body matrix elements for a Gaussian potential in the cylindrical harmonic-oscillator basis. This formalism is of critical importance for…
Collinear configurations of the helium-like atomic systems, relevant, e.g., for the quasifree mechanism of the double photoionization of helium, are studied, parameterized by the single scalar parameter $-1\leq \lambda\leq1$ ("collinear…
Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals $2p_{1/2}$, $1f_{5/2}$, $2p_{3/2}$, $0i_{13/2}$, $1f_{7/2}$ and $0h_{9/2}$ to study the structure and electromagnetic properties of…
Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to effective low energy problems in the…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
We study a quantum system of $p$ commuting matrices and find that such a quantum system requires an explicit curvature dependent potential in its Lagrangian for the system to have a finite energy ground state. In contrast it is possible to…
We study one of the simplest integrable two-dimensional quantum field theories with a boundary: $N$ free non-compact scalars in the bulk, constrained non-linearly on the boundary to lie on an $(N-1)$-sphere of radius $1/\sqrt{g}$. The $N=1$…
We discuss how to construct a tight binding model Hamiltonan for the simplest possible solid, composed of hydrogen-like atoms. A single orbital per atom is not sufficient because the on-site electron-electron repulsion mixes in higher…
We propose a unified description for the constants of motion for superintegrable deformations of the oscillator and Coulomb systems on N-dimensional Euclidean space, sphere and hyperboloid. We also consider the duality between these…
Irregular conformal block is an important tool to study a new type of conformal theories, which can be constructed as the colliding limit of the regular conformal block. The irregular conformal block is realized as the $\beta$-deformed…
We show that the diagonal matrix elements $< Or^{p} >,$ where $O$ $={1,\beta,i\mathbf{\alpha n}\beta}$ are the standard Dirac matrix operators and the angular brackets denote the quantum-mechanical average for the relativistic Coulomb…