Skip to content

opVop with erf-attenuated V? #380

@brianz98

Description

@brianz98

Hi all,

Is it currently possible to compute the opVop integrals with erf-attenuated V as in erf_nuclear? This would enable computing the small component nuclear attraction integrals for Gaussian nuclear charge distributions.

Thanks in advance!

Metadata

Metadata

Assignees

Labels

No labels
No labels

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions