qmctorch.wavefunction.orbitals.backflow.orbital_dependent_backflow_kernel module¶
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class
qmctorch.wavefunction.orbitals.backflow.orbital_dependent_backflow_kernel.
OrbitalDependentBackFlowKernel
(backflow_kernel, backflow_kernel_kwargs, mol, cuda)[source]¶ Bases:
sphinx.ext.autodoc.importer._MockObject
Compute orbital dependent back flow kernel, i.e. the functions f(rij) where rij is the distance between electron i and j This kernel is used in the backflow transformation .. math:
q^{alpha}_i = r_i + sum_{jneq i} f^{alpha}(r_{ij}) (r_i-r_j)where :math: f^{alpha}(r_{ij}) is the kernel for obital :math: alpha