Thanks so much for your videos. I am a university lecturer. Honestly I use your videos to prepare some of my lectures. But if you guide me which book resources to use for both physical chemistry and quantum chemistry in order to study the subjects in detail, I will be thankful...
Next set expected by end of June. I'd agree in terms of width of coverage, but there are certainly gems to be found here and there currently. Hopefully this course will be among the best online utilities in the field by the time of its completion, however far away that may be.
Could you please help me to solve these problems: Indicate if Hartee-folk(HF) energy depends on 1. The Molecular energy co-efficient 2. The MO energies 3. The choice of geometrical coordinates (internal vs cartesian coordinates) --Motivate your answers?
Hi Anjan. By energy co-efficient I'll assume you mean C matrix coefficients which constitute the molecular orbitals (which affect MO energies). The MO energies, are then one of the components in the HF energy. And the geometry coordinates (along with the nuclear charges, number of electrons, and choice of basis functions) determine what the C matrix coefficients are.
Say there were three nuclei or electrons..by taking the summation like you did (b=a+1) wouldn't you discount the 1,3 nucleur or electronic repulsive interaction??
Those terms would be included. The point of pairwise double-sums is to avoid double counting, and self interactions. We only want to count each unique pair once. In your example, with 3 nuclei, we start with a = 1, b = a+1 = 1+1 = 2. That generates the 1,2 interaction. We then increment b in the inner loop, b = b+1 = 2+1 = 3, which gives us 1,3 (since 3 is still 3, so the loop ends, and we increment a = a+1 = 1+1 = 2. The inner loop gives b = 3, and we have the 2,3 term. B then = 4 which ends that loop, A is increased to 3, B is 4 again which ends the loop, A is then increased to 4, and the outer loop ends. The result of this is that 3 interacting pairs contribute to the energy once, and only once, each: 1,2; 1,3; and 2,3.
These quantum video series are a lifesaver! Thanks to this chanel I'm going to obtaing VG in my next examination.
Wonderful Presentation! One Slide with the information, clear and excellent explaination. That's excellent! Thanks a lot for this.
Thanks so much for your videos. I am a university lecturer. Honestly I use your videos to prepare some of my lectures. But if you guide me which book resources to use for both physical chemistry and quantum chemistry in order to study the subjects in detail, I will be thankful...
Do you have a video about the wave Equation? And its derivation ad details? I am so glad to have found this channel!
I'm so glad to get new videos about QUantuum Chemistry ! I have a exam soon.
Best of luck as you continue your studies.
Your work here on YT is so cool, keep going :) ! Almost the only one to speak correctly about Quantuum Chem.
Next set expected by end of June. I'd agree in terms of width of coverage, but there are certainly gems to be found here and there currently. Hopefully this course will be among the best online utilities in the field by the time of its completion, however far away that may be.
Thank God for people like you.
IT'S HERE!!! I was looking forward to this so much.
I couldn't delay any longer, knowing that Mario was eagerly awaiting publication.
TMP Chem Seems legit... Just in time for holidays here, you just gave me a productive way to spend it.
Very nice explanations, thanks!
Thanks for watching, Sergey.
THANK U very much , i was having so problem to understand it before, thank uuu
Thanks a lot for these videos, it has been really helpful
Thanks Malo.
Could you please help me to solve these problems: Indicate if Hartee-folk(HF) energy depends on 1. The Molecular energy co-efficient 2. The MO energies 3. The choice of geometrical coordinates (internal vs cartesian coordinates) --Motivate your answers?
Hi Anjan. By energy co-efficient I'll assume you mean C matrix coefficients which constitute the molecular orbitals (which affect MO energies). The MO energies, are then one of the components in the HF energy. And the geometry coordinates (along with the nuclear charges, number of electrons, and choice of basis functions) determine what the C matrix coefficients are.
On expanding the hamiltonian, why is there a negative sign in front of the potential energy of the nucleus?
because the potential energy increases
Say there were three nuclei or electrons..by taking the summation like you did (b=a+1) wouldn't you discount the 1,3 nucleur or electronic repulsive interaction??
Those terms would be included. The point of pairwise double-sums is to avoid double counting, and self interactions. We only want to count each unique pair once. In your example, with 3 nuclei, we start with a = 1, b = a+1 = 1+1 = 2. That generates the 1,2 interaction. We then increment b in the inner loop, b = b+1 = 2+1 = 3, which gives us 1,3 (since 3 is still 3, so the loop ends, and we increment a = a+1 = 1+1 = 2. The inner loop gives b = 3, and we have the 2,3 term. B then = 4 which ends that loop, A is increased to 3, B is 4 again which ends the loop, A is then increased to 4, and the outer loop ends.
The result of this is that 3 interacting pairs contribute to the energy once, and only once, each: 1,2; 1,3; and 2,3.
@@TMPChem I get it now.."a" not equal to "b" is invoked as usual.
First.