« first day (41 days earlier)      last day (1358 days later) » 

12:42 AM
1
Q: Analysis of post-HF wavefunctions

permeakraHartree-Fock method introduces electron (spin)orbitals and they are commonly used for qualitative rationalization of many molecular properties. However, MOs have meaning only if we ignore electron correlation. Post-HF non-DFT methods build correlated wave-function, but due to correlation extracti...

 
 
4 hours later…
4:28 AM
0
Q: Why is black-body radiation curve smooth without a sharp cutoff?

The99sLearnerPlanck's law is able to predict a graph that is consistent with experimental observation: In essence, unlike Rayleigh-Jeans law that assumes equipartition theorem to hold (that each mode of motion shares equal energy at thermal equilibrium, so all modes excited at thermal equilibrium ⇒ ultraviol...

 
 
11 hours later…
3:22 PM
0
Q: More Anti-bonding or less bonding electrons?

B.AnshumanJust a small Question, Is a molecule more stable with less bonding electrons or more anti-bonding electrons? This question arose when I was asked the stability comparison between $N_2$(+) and $N_2$(-).

 

« first day (41 days earlier)      last day (1358 days later) »