Related papers: Analytically projected rotationally symmetric expl…
Numerical projection methods are elaborated for the calculation of eigenstates of the non-relativistic many-particle Coulomb Hamiltonian with selected rotational and parity quantum numbers employing shifted explicitly correlated Gaussian…
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 consider a specific form of explicitly correlated Gaussians -- with tensor pre-factors -- which appear naturally when dealing with certain few-body systems in nuclear and particle physics. We derive analytic matrix elements with these…
Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics.
Deformed correlated Gaussian basis functions are introduced and their matrix elements are calculated. These basis functions can be used to solve problems with nonspherical potentials. One example of such potential is the dipole…
This work is concerned with two-spin-1/2-fermion relativistic quantum mechanics, and it is about the construction of one-particle projectors using an inherently two(many)-particle, `explicitly correlated' basis representation, necessary for…
We develop an innovative numerical technique to describe few-body systems. Correlated Gaussian basis functions are used to expand the channel functions in the hyperspherical representation. The method is proven to be robust and efficient…
Many quantal many-body methods that aim at the description of self-bound nuclear or mesoscopic electronic systems make use of auxiliary wave functions that break one or several of the symmetries of the Hamiltonian in order to include…
We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary…
We formulate a hyperspherical approach within standard configuration interaction calculations aiming at a description of large-scale dynamics of $N$-particle system. The channel wave function and the adiabatic channel energy are determined…
The dynamics of an open quantum system is usually studied by performing a weak-coupling and weak-correlation expansion in the system-bath interaction. For systems exhibiting strong couplings and highly non-Markovian behavior this approach…
Within the hyperspherical framework, the solution of the time-independent Schroedinger equation for a n-particle system is divided into two steps, the solution of a Schroedinger like equation in the hyperangular degrees of freedom and the…
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…
Angular momentum projection is a basic technique in constructing nuclear wave functions with good spins. Traditionally, a projected nuclear wave function is expressed in terms of the bases built by performing the angular momentum projection…
In their textbook, Suzuki and Varga [Y. Suzuki and K. Varga, {\em Stochastic Variational Approach to Quantum-Mechanical Few-Body Problems} (Springer, Berlin, 1998)] present the stochastic variational method with the correlated Gaussian…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
A new method describing nuclear rotational motion microscopically is proposed. We extract the rotational Hamiltonian by introducing the intrinsic pair modes which commute with the rotational mode. Thereby the rotational mode is not treated…
The solution of the hyperangular Schr\"odinger equation for few-body systems using a basis of explicitly correlated Gaussians remains numerically challenging. This is in part due to the number of basis functions needed as the system size…
We present a simple, robust and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on…
We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of…