147 citations · 433 across the 11 of their papers we have counts for
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Electronic structure quantum Monte Carlo
Michal Bajdich, Lubos Mitas
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods rel…
Generalized Pairing Wave Functions and Nodal Properties for Electronic Structure Quantum Monte Carlo
Michal Bajdich
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equ…
Pfaffian pairing and backflow wave functions for electronic structure quantum Monte Carlo methods
M. Bajdich, L. Mitas, L. K. Wagner +1
We investigate pfaffian trial wave functions with singlet and triplet pair orbitals by quantum Monte Carlo methods. We present mathematical identities and the key algebraic propert…
Pfaffian pairing wave functions in electronic structure quantum Monte Carlo
M. Bajdich, L. Mitas, G. Drobný +2
We investigate the accuracy of trial wave function for quantum Monte Carlo based on pfaffian functional form with singlet and triplet pairing. Using a set of first row atoms and mo…
Approximate and exact nodes of fermionic wavefunctions: coordinate transformations and topologies
Michal Bajdich, Lubos Mitas, Gabriel Drobný +1
A study of fermion nodes for spin-polarized states of a few-electron ions and molecules with one-particle orbitals is presented. We find exact nodes for some cases of two e…