Recent content by hiltac

Hello, If we consider a source of light (in a point x), is it wright to say that the intensity decreases in 1/r2 ? Thank you !

Hi everyone, How hybrid functional can be quicker than HF ? Because we have to use the HF exchange part, so we have to solve the problem with HF before, am I right ? Thank you

And how can we explain to use a 6-31G basis set to study a molecule like H2 ? 6 gaussian for the 1s and what about the splitting in 3+1 ? Thank you again

Hello ! When we say that we use a 6-31G for a molecule (ex: N2), it is this number of gaussian (6+3+1) for both of the atoms or for each atom ? Thank you

There is something I don't get... If we have to use exchange energy from HF in hybrid functional, how is it possible to be quicker than only HF? We have to solve HF calculation and then kohn sham, right ? Thank you for all these precision

If we consider a 3 level laser, we have to avoid absorption from level 1 to 2 (if it lase between 3 and 2). So, I'm asking if it is possible to not reflect the hν12 which is made by the spontaneous emission between this 2 level ?

Yes you're right, it's another thing. I just want to know if it is possible to avoid some reflection (in the gain medium) ? can we modulate the miroir to absorb (and so not reflect) some frequencies ?

And, just to be sure, is it possible to avoid the reflection of some frequency during the wall plug ? To be able to have only the frequency of the laser transition and avoid transition from the ground state (to maintain the population inversion).

I thought that solving a problem with hybrid functional was quicker than with HF ?

@mfb Just easier if we talk about the energy of the light involved. (not about the material, juste suppose that you have access to anything) Is it true to think that's MASER because of the proximity between the level involved ? If we look at the Boltzmann distribution, ΔE is smaller with maser...

Hello, Which type of laser are easier to make ? Micro-wave (MASER), infrared, visible light, UV... ? Which type of light leads in an easier way to a population inversion ? Is it maser because the level energy involved are closed ? Thank you

Thank you for that explanation ! So, if results (using B3LYP) are worst because of HF exchange it's due to the fact that take EXC = EX + EC is an approximation ? And it's for the same reason that we cannot only take EX from HF exchange for hybryd functionnal ? Do you know why we get best...

In this article it's maybe more clear : (ctrl+F and SDD) http://www.udel.edu/chem/polenova/PDF/Polyoxometalates/W_CS_CPL2000.pdf

You're right ! ECP = electron core potential And the SDD I don't know what is it... On this site you can find the SDD and Stuttgart but I don't understand what is the difference between the 2 to be able to understand what means if we say that we take a Stuttgar t effective core SDD basis set...

Sorry I made a mistake it's not EDP but of course ECP (for SDD)