99 citations · 99 across the 2 of their papers we have counts for
6 papers
On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians
Péter Jeszenszki, Robbie T. Ireland, Dávid Ferenc +1
This paper elaborates the integral transformation technique of [K. Pachucki, W. Cencek, and J. Komasa, J. Chem. Phys. 122, 184101 (2005)] and uses it for the case of the non-relati…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…
Eliminating the wave function singularity for ultracold atoms by similarity transformation
Péter Jeszenszki, Ulrich Ebling, Hongjun Luo +2
A hyperbolic singularity in the wave-function of -wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whe…
Are smooth pseudopotentials a good choice for representing short-range interactions?
Péter Jeszenszki, Ali Alavi, Joachim Brand
When seeking a numerical representation of a quantum-mechanical multiparticle problem it is tempting to replace a singular short-range interaction by a smooth finite-range pseudopo…
Accelerating the convergence of exact diagonalization with the transcorrelated method: Quantum gas in one dimension with contact interactions
Péter Jeszenszki, Hongjun Luo, Ali Alavi +1
Exact diagonalization expansions of Bose or Fermi gases with contact interactions converge very slowly due to a non-analytic cusp in the wave function. Here we develop a transcorre…
The -wave scattering length of a Gaussian potential
Peter Jeszenszki, Alexander Yu. Cherny, Joachim Brand
We provide accurate expressions for the -wave scattering length for a Gaussian potential well in one, two and three spatial dimensions. The Gaussian potential is widely used as…