[PDF] Top 20 Applications of the Fixed-node Quantum Monte Carlo Method.

... CI) method might build an exact wave function as a linear combination of the HF determinant and all excited determinants ...the method and can be another obstacle to considering a larger space of ... See full document

... the fixed-node ap- ...the method then projects out the lowest-energy state with the same nodal surface as the trial wave ...The fixed- node approximation introduces a small error in the ... See full document

... Abstract. Chiral Effective Field Theory (EFT) two- and three-nucleon forces are now widely employed. Since they were originally formulated in momentum space, these in- teractions were non-local, making them inaccessible ... See full document

... correct inclusion of degenerate determinants of specified symmetry classes in their study of diamond (which has the same symmetry properties as Si, with the same con- sequence that the valence-band maximum and conduc- ... See full document

... Diffusion Monte Carlo methods have been used mainly in studying electronic systems where the particle interactions vary relatively slowly with ...using quantum Monte Carlo methods to ... See full document

... Efforts to construct wave functions with accurate nodal surfaces have continued since the introduction of the fixed- node approximation. Single-determinant wave functions of- ten provide good nodal surfaces ... See full document

... RN-DMC method we introduce the wave functions with intentionally varied accuracy by employing sub- optimal pair ...released-node method successfully detects the nodal inaccuracies that were ... See full document

... We begin with the importance of the one-particle orbitals used in the trial function. These are not optimized within VMC and the Jastrow factor does not change the nodes, so we are forced to use the nodes of the Slater ... See full document

... doubles method, for which the computational cost scales as N 6 ...a method is clearly unsuit- able for applications to ...the method is ... See full document

... sensor node is an essential problem for many economic forecasting applications in wireless sensor ...time, Monte Carlo localization algorithm utilizes the moving characteristics of nodes and ... See full document

... VMC method to calculate the ground state of the helium atom as well as the ground state of hydrogen negative ion in the presence of a magnetic field regime between 0 ... See full document

... Quantum Monte Carlo (QMC) represents a promising methodol- ogy for solving electronic structure and quantum many-body prob- lems in ...in applications and also in further theoretical ... See full document

... Variational and di usion Monte Carlo, the most ommonly used ele troni stru ture QMC variants, use sto hasti methods to optimize wavefun tions and al ulate expe tation values [56℄ and an [r] ... See full document

... beyond the first and second row elements, forces using current methodology are inaccurate. We have not treated the other axis, of increasing the number of atoms in the simulation, and the forces may or may not be ... See full document

... The calculation of voltage sag indices can be based on actual measurement [3-4] or by using stochastic prediction methods. Without any doubt, the major cause of voltage sags are short circuit faults in power supply ... See full document

... Markov Chain Monte Carlo in Practice, chapter Hypothesis testing and Model Selection, pages 163–188.. [practical markov chain monte carlo]: Comment: One long run with diagnostics: Implem[r] ... See full document

... In order to address problems with larger search spaces, we must turn to alternative methods. Monte Carlo tree search (MCTS) has had a lot of success in Go and in other appli- cations [2] [1]. MCTS eschews ... See full document

... In future, these computational savings could render the generation of sensitivity information of responses with respect to cross-sections and the propagation of cross-sections uncertainties through Monte ... See full document

... Computing power is advancing quite rapidly, and will probably continue to do so, a factor which favors QMC approaches over any other. This means that, essentially, we only need to wait in order to win. However, the ... See full document

... We analyze the problem of eliminating finite-size errors from quantum Monte Carlo 共 QMC 兲 energy data. We demonstrate that both 共 i 兲 adding a recently proposed 关 S. Chiesa et al., Phys. Rev. Lett. ... See full document