Multiwfn forum
Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
You are not logged in.
- Topics: Active | Unanswered
#1 2022-08-17 10:31:35
- Sumayya PC
- Member
- Registered: 2022-08-17
- Posts: 2
Visualize (hyper)polarizability via unit sphere and vector representat
Dear sir/Mam
I am working with nonlinear optical property. My compound absorb in UV region (364nm,303nm). In multiwfn, they proved a way for the visualization of hyperpolarizability via sphere and vector representation. Here the plots are reproduced from a previously reported literature at 1030 nm and 450 nm. My doubt is how they are selected the specific wavelength. Can I prepare input file with 364 NM or I want to change the wavelength to higher one. Please help.....
Offline
#2 2022-08-17 11:56:47
Re: Visualize (hyper)polarizability via unit sphere and vector representat
Please check Section 4.300.3.1 of Multiwfn manual, which described whole process of plotting map of unit sphere representation. As shown in the example Gaussian input file in this section, you can directly specify incident frequency at the end of input file.
Offline