Introduction to Pople-style basis sets

00:52 Electron configurations for typical first, second, and third row elements
03:21 Minimal basis sets [STO-3G]
06:39 Split valence basis sets [3-21G]
12:26 6-31G basis set
16:10 Basis set with polarization functions [6-31G(d)]
22:00 Diffuse functions [6-31+G(d)]

The basics of Pople-style basis sets used in computational chemistry programs. This includes minimal basis sets, split valence set, polarization, and diffuse functions.

John Pople was awarded the 1998 Nobel Prize in chemistry.

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[lseinjr]

(For mobile users)

00:52 Electron configurations for typical first, second, and third row elements
03:21 Minimal basis sets [STO-3G]
06:39 Split valence basis sets [3-21G]
12:26 6-31G basis set
16:10 Basis set with polarization functions [6-31G(d)]
22:00 Diffuse functions [6-31+G(d)]

[HeyKevinYT]

Thanks for the explanation. When I heard it in my VASP lecture yesterday, the nomenclature seemed very cryptic. Now it's clear to me.

[janrey]

thanks from spain I really needed a clear explanation on the subject and yours was amazing!!

[LtsFlashers]

Hey chemistry-student from Germany. Thank you so much for this video. It helped me so much and now I hope that my experiment on Tuesday is going to be more understandable :).

[viragoth_fr]

Thx from France ! I'm searching for a good explication of these kind of basis set and this video give me all I wanted !

[josemiguelrodriguezsantos]

Amigo
The way you teach is too good and easy to understand. I think your videos will be useful for my computational chemistry course. Thank you so much

[angelamarineau]

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[brokkenwilliam]

Thanks for this! I've been spending the day counting orbitals in input and output files and this has helped me decipher the lingo a lot :)

[oirwtld]

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[donatocalabrese]

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[maryamdaneen]

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I get happy on learning small things and these small things sometimes make a big difference.👍

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[ChaoqunMa-dd]

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[sankawijewardane]

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[athenacsb]

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[nicat]

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[raziyhebakhshandeh]

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[mustakim]

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[gabrielamaturana]

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