Matches in SemOpenAlex for { <https://semopenalex.org/work/W2910269077> ?p ?o ?g. }
- W2910269077 abstract "An algorithm for optimizing the nonlinear parameters of all-electron explicitly correlated Gaussian functions is presented. The approach uses the time-dependent variational principle in combination with the imaginary-time propagation of the wave function to determine the optimal linear and nonlinear variational parameters. The approach is tested on the calculation of the ground-state energy of the ${mathrm{HD}}^{+}$ molecule using complex-valued explicitly correlated Gaussians. The presented results show the efficiency and accuracy of the method." @default.
- W2910269077 created "2019-01-25" @default.
- W2910269077 creator A5034899152 @default.
- W2910269077 date "2019-01-08" @default.
- W2910269077 modified "2023-09-29" @default.
- W2910269077 title "Optimization of the nonlinear parameters of the correlated Gaussian basis functions with imaginary-time propagation" @default.
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- W2910269077 doi "https://doi.org/10.1103/physreva.99.012504" @default.
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