2022
DOI: 10.1016/j.chemphys.2021.111402
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A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities

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Cited by 2 publications
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“…Its applications are, however, limited for its comparatively high CPU cost steeply growing for larger systems as O­( K 7 ) where K is the number of basis functions . The single-determinant (SD) fixed-node diffusion Monte Carlo (FNDMC) method with Slater-Jastrow trial wave functions, with the low-order CPU cost O­( N 3 ) with the number of electrons N , may offer a complementary solution in this respect. …”
Section: Introductionmentioning
confidence: 99%
“…Its applications are, however, limited for its comparatively high CPU cost steeply growing for larger systems as O­( K 7 ) where K is the number of basis functions . The single-determinant (SD) fixed-node diffusion Monte Carlo (FNDMC) method with Slater-Jastrow trial wave functions, with the low-order CPU cost O­( N 3 ) with the number of electrons N , may offer a complementary solution in this respect. …”
Section: Introductionmentioning
confidence: 99%