qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_power_sum module

class qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_power_sum.BackFlowKernelPowerSum(mol, cuda, order=2)

Bases: qmctorch.wavefunction.orbitals.backflow.kernels.backflow_kernel_base.BackFlowKernelBase

Compute the back flow kernel, i.e. the function f(rij) where rij is the distance between electron i and j This kernel is used in the backflow transformation .. math:

q_i = r_i + sum_{jneq i} f(r_{ij}) (r_i-r_j)