Bibaswan Biswas

2 Questions 5 Answers 0 Followers

Questions related from Bibaswan Biswas

Are conjugate operators commutative. if so may I have the proof?

I want to understand group theory in terms of general mathematics. I saw that it is written "conjugate operators are commutative". but i cannot detive the proof.

09 September 2018 1,047 0 View

I am trying to calculate absorption spectra using tddft but it is giving lambdamax=320nm but exp = 410 nm

I am using tddft on optimized geometry [ #p cam-b3lyp/6-31g* td=(singlets,nstates=10) pop=full gfprint gfinput fchk ]. I am getting Excited State 1: Singlet-A 3.8727 eV 320.15 nm f=0.1523...

05 May 2017 3,105 15 View