An improved transition matrix for variational Monte Carlo calculations is proposed. This matrix allows the use of larger time steps than the usual Langevin-based transition matrix and provides efficient sampling of electron positions in both the core and valence regions. Its efficiency and accuracy in predictions of energies for hydrogen-like systems and for the neon atom are demonstrated
We will explore applications of computational methods in solving selected quantum mechanical problem...
Over the past several decades, computational approaches to studying strongly-interacting systems hav...
This topical review describes the methodology of continuum variational and diffusion quantum Monte C...
An improved transition matrix for variational Monte Carlo calculations is proposed. This matrix allo...
A new algorithm for the variational quantum Monte Carlo (VMC) is proposed. This algorithm takes the ...
After reviewing previously published techniques, a new algorithm is presented for optimising variabl...
Title: Quantum Variational Monte Carlo method Author: Jakub Kocák Department: Department of Physical...
ABSTRACT: Quantum Monte Carlo methods are accurate and promising many body techniques for electronic...
We investigate the use of different variational principles in quantum Monte Carlo, namely, energy an...
We show that the standard Lanczos algorithm can be efficiently implemented statistically and self-co...
Properties that are necessarily formulated within pure (symmetric) expectation values are difficult ...
mVMC (many-variable Variational Monte Carlo) is an open-source software based on the variational Mon...
Quantum Monte Carlo (QMC) methods can yield highly accurate energies for correlated quantum systems...
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from...
This thesis details four research projects related to zero temperature quantum Monte Carlo. Chapters...
We will explore applications of computational methods in solving selected quantum mechanical problem...
Over the past several decades, computational approaches to studying strongly-interacting systems hav...
This topical review describes the methodology of continuum variational and diffusion quantum Monte C...
An improved transition matrix for variational Monte Carlo calculations is proposed. This matrix allo...
A new algorithm for the variational quantum Monte Carlo (VMC) is proposed. This algorithm takes the ...
After reviewing previously published techniques, a new algorithm is presented for optimising variabl...
Title: Quantum Variational Monte Carlo method Author: Jakub Kocák Department: Department of Physical...
ABSTRACT: Quantum Monte Carlo methods are accurate and promising many body techniques for electronic...
We investigate the use of different variational principles in quantum Monte Carlo, namely, energy an...
We show that the standard Lanczos algorithm can be efficiently implemented statistically and self-co...
Properties that are necessarily formulated within pure (symmetric) expectation values are difficult ...
mVMC (many-variable Variational Monte Carlo) is an open-source software based on the variational Mon...
Quantum Monte Carlo (QMC) methods can yield highly accurate energies for correlated quantum systems...
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from...
This thesis details four research projects related to zero temperature quantum Monte Carlo. Chapters...
We will explore applications of computational methods in solving selected quantum mechanical problem...
Over the past several decades, computational approaches to studying strongly-interacting systems hav...
This topical review describes the methodology of continuum variational and diffusion quantum Monte C...