Re: electronic angular momentum LX, LY, LZ

dummy@example.com (sobereva) — Fri, 09 May 2025 19:30:56 +0000

Hello,

Please search "Magnetic dipole moment density (MDMD)" in Multiwfn manual, you will find it is directly related to electronic angular moments. MDMD and its components correspond to user-defined functions in Multiwfn, and the corresponding code is "real*8 function magmomdens(x,y,z,idir)" in functions.f90. You can properly utilize/modify the code according to your practical requirement.

Best regards,

Tian Lu

electronic angular momentum LX, LY, LZ

dummy@example.com (SCmwfnQ) — Fri, 09 May 2025 18:10:56 +0000

How can the electronic angular moment LX, LY, LZ be calculated in Multiwfn?
Thanks very much,
Steve Coy

Multiwfn forum / electronic angular momentum LX, LY, LZ

Re: electronic angular momentum LX, LY, LZ

electronic angular momentum LX, LY, LZ