Add to ORKGA quantum Monte Carlo method is introduced to optimize excited-state trial wave functions. The method is applied in a correlation function Monte Carlo calculation to compute ground- and excited-state energies of bosonic van der Waals clusters of up to seven particles. The calculations are performed using trial wave functions with general three-body correlations
Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molec...
Rearranging chemical bonds is chemistry. Simulating chemical reactions is an expensive and complex p...
A variational Monte Carlo method for bosonic lattice models is introduced. The method is based on th...
A quantum Monte Carlo method is introduced to optimize excited state trial wave functions. The metho...
In calculating energy spectra, unlimited accuracy is only obtained if N-body wavefunctions contain N...
The computational physics methods of various processes have become very popular during the last seve...
This paper deals with the optimization of trial states for the computation of dominant eigenvalues o...
Bosonic van der Waals clusters of sizes three, four, and five are studied by diffusion quantum Monte...
We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum...
International audienceWe present a simple and efficient method to optimize within energy minimizatio...
In this communication, we propose a method for obtaining isolated excited states within the full con...
This review covers applications of quantum Monte Carlo methods to quantum mechanical problems in the...
The accurate description of molecular excited states is an active frontier in the development of ele...
Diffusion Monte Carlo methods can give highly accurate results for correlated systems, provided that...
We present a new form of explicitly correlated wavefunction whose parameters are mainly linear, to c...
Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molec...
Rearranging chemical bonds is chemistry. Simulating chemical reactions is an expensive and complex p...
A variational Monte Carlo method for bosonic lattice models is introduced. The method is based on th...
A quantum Monte Carlo method is introduced to optimize excited state trial wave functions. The metho...
In calculating energy spectra, unlimited accuracy is only obtained if N-body wavefunctions contain N...
The computational physics methods of various processes have become very popular during the last seve...
This paper deals with the optimization of trial states for the computation of dominant eigenvalues o...
Bosonic van der Waals clusters of sizes three, four, and five are studied by diffusion quantum Monte...
We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum...
International audienceWe present a simple and efficient method to optimize within energy minimizatio...
In this communication, we propose a method for obtaining isolated excited states within the full con...
This review covers applications of quantum Monte Carlo methods to quantum mechanical problems in the...
The accurate description of molecular excited states is an active frontier in the development of ele...
Diffusion Monte Carlo methods can give highly accurate results for correlated systems, provided that...
We present a new form of explicitly correlated wavefunction whose parameters are mainly linear, to c...
Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molec...
Rearranging chemical bonds is chemistry. Simulating chemical reactions is an expensive and complex p...
A variational Monte Carlo method for bosonic lattice models is introduced. The method is based on th...