Introduction to Density Functional Theory [Part One] Background

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  • Опубліковано 14 жов 2024
  • An introductory course to performing DFT Calculations. This video should provide the necessary background about the important concepts and approximations behind this method.
    References:
    Scholl, D. S.; Steckel, J. A. Density Functional Theory: A practical Introduction; John Wiley & Sons, Inc., 2009; pp 9-18.
    Atomic System of Units:
    en.wikipedia.o...

КОМЕНТАРІ • 61

  • @rajanalexander4949
    @rajanalexander4949 9 місяців тому +6

    This is incredible. Dr Timm has stitched together about a dozen sources in spectroscopy, quantum chemistry and computation chemistry and distilled the contents into a (relatively) easy-to-follow story. Great work. Thank you!

  • @markusheimerl8735
    @markusheimerl8735 2 роки тому +23

    Amazing. World class presentation. Speed was perfect and every sentence carried weight. Thank you so so much!

  • @yashasbalasooriya3462
    @yashasbalasooriya3462 2 роки тому +16

    Nice work! I'm trying to understand this book "Density functional theory - A practical introduction" for a weeks now. Videos were nice help. thanks

  • @danielitocampo18
    @danielitocampo18 Рік тому +2

    Thank you! The speed and conciseness of this introduction video were right on point. Keep it up 🫡

  • @nancysohlberg8150
    @nancysohlberg8150 Рік тому +1

    Thank you for taking the time to put this together. Really clear and well done!

  • @armalify
    @armalify 2 роки тому +3

    Thank you for sharing this video with us. Keep it up and please don't lose momentum.

  • @IDK-jh9mn
    @IDK-jh9mn 15 днів тому

    Great explanation. Thank you!

  • @nikolateslanikolatesla
    @nikolateslanikolatesla 7 місяців тому +2

    The best explanation I've seen on the subject

  • @_The_Alchemist_
    @_The_Alchemist_ 9 місяців тому +1

    I still cannot understand why it’s difficult to solve the electron-electron term. @12:05, four terms? Didn’t we neglect the nucleus-nucleus interaction? Please help.

  • @satyamchoudhuryres.scholar1116
    @satyamchoudhuryres.scholar1116 2 місяці тому

    Thank you matt for a wonderful introduction. This help a lot. Thank you

  • @shahrazadhassan67
    @shahrazadhassan67 Місяць тому

    Your explanation is great, I wish I had watched this video earlier, Бальшое спасибо (= thanks in Russian)

  • @ahmedeldoc6514
    @ahmedeldoc6514 5 місяців тому +1

    thank you for yout great presentation... could you please insert the link of this Book for free downloading

  • @CelebsTracker369
    @CelebsTracker369 7 місяців тому +1

    Thank you ❤

  • @YuTv1408
    @YuTv1408 10 місяців тому

    I love these slides. Im hoping to using functional programming in Python to better understand DFT.

  • @yomnalkabakibi7856
    @yomnalkabakibi7856 Місяць тому

    You are simply a hero! thank you ❤

  • @daddu1989l
    @daddu1989l Рік тому +1

    Thank you very much for the lecture!! Nicely done.

  • @AamirKhan-ho8uy
    @AamirKhan-ho8uy 2 роки тому +2

    Beautifully explained

  • @ShifatHossain-dj5wn
    @ShifatHossain-dj5wn Рік тому

    Wow you are the best! You explained it in such practical terms!

  • @aiwilo3070
    @aiwilo3070 5 місяців тому +1

    Nice work!

  • @LifeForAiur
    @LifeForAiur Рік тому

    I have a a technical questions (that may be a little stupid, sorry). So in the KS equation on 13:31, the potential is determined from evaluating the functionals for each respective potential term. However, won't the integral just give some single number for each, not a spacially dependent potential V(r)? Am I missing something about the math?

  • @alexanderpoliakov5949
    @alexanderpoliakov5949 Рік тому

    An amazing introduction to DFT, thank you!

  • @juanpardo21
    @juanpardo21 Рік тому

    Amazing work, thanks for your video

  • @shinwaridrees
    @shinwaridrees 7 місяців тому

    Very good explanation, well done.

  • @Artavazd.kirakosyan
    @Artavazd.kirakosyan 2 роки тому +2

    Thanks for a good v-explanation.

  • @shivamsinghaswal303
    @shivamsinghaswal303 Рік тому

    Really interesting topic. Great video.

  • @yiouliu8646
    @yiouliu8646 2 роки тому +2

    Great density functional theory tutorial, can provide a PPT of this tutorial
    ? thanks

  • @swamrania7608
    @swamrania7608 2 роки тому

    Can u please tell whats the difference between LDA and GGA!!!!!!! As soon as u can And why we use plane-waves in ABINIT Code... Because I'm working on my final year project 😢😢😢

  • @ritamdasbairagya3776
    @ritamdasbairagya3776 6 місяців тому

    Please continue tha lecture❤❤

  • @ANJALIBHATTACHARYYPHD
    @ANJALIBHATTACHARYYPHD Рік тому

    Thank you for your presentation Sir

  • @hitesharora701
    @hitesharora701 2 роки тому +1

    I have one query, do we also have to do the programing if we are doing a project on dft in msc ?

    • @saurabhchandrakandpal5417
      @saurabhchandrakandpal5417 2 роки тому +3

      You don’t write DFT code by yourself as it is available in most of the computational chemistry packages. But you should learn a programming language if you want to do computational chemistry in future.

  • @배고파용-i2m
    @배고파용-i2m 6 місяців тому

    thank you from Korea !!!!

  • @jinbaofan8957
    @jinbaofan8957 2 роки тому

    very good intro, thank you so much!

  • @Unveiling_the_Origin
    @Unveiling_the_Origin Рік тому

    can i get ppt of this video?

  • @albertmtikani6503
    @albertmtikani6503 28 днів тому

    Can I have your notes (slides)

  • @secretgarden8142
    @secretgarden8142 Рік тому

    Thank you professor

  • @Chen_Tangerine
    @Chen_Tangerine Рік тому

    Sorry, I still don't understand how to calculate the exchange relation energy in KS equation……

    • @roising.3221
      @roising.3221 10 місяців тому

      You don't, you approximate

  • @halvmer
    @halvmer Рік тому

    You are amazing!! OMG Thank you

  • @jbragg33
    @jbragg33 6 днів тому

    thanks

  • @BananaInDaHouse
    @BananaInDaHouse 2 роки тому

    thankyou, for the very good video

  • @Andy_M.S.c
    @Andy_M.S.c Рік тому

    thank for introducing me to that which I will never specialise in, organic my beloved come save me

  • @gulwareena
    @gulwareena 2 роки тому

    thank you very much!

  • @Ryan-vc8dk
    @Ryan-vc8dk 2 роки тому

    Thank you so much

  • @HilaryOgden
    @HilaryOgden Місяць тому

    5582 Earnest Fords

  • @jp5568
    @jp5568 2 роки тому

    Beautiful

  • @JacindaRebelo
    @JacindaRebelo 28 днів тому

    222 Eryn Ford

  • @MaudErin
    @MaudErin 18 днів тому

    659 Gillian Road

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    @BenHermosa 23 години тому

    607 Paxton Point

  • @CookeJulian
    @CookeJulian Місяць тому

    144 Jayce Landing

  • @AbbottDean-f7z
    @AbbottDean-f7z Місяць тому

    Jenkins Walks

  • @BrendaThompson-g7x
    @BrendaThompson-g7x День тому

    2323 Glover Forge

  • @PeggyJeff-u5o
    @PeggyJeff-u5o 11 днів тому

    97715 Hansen Views

  • @abugchaser6085
    @abugchaser6085 7 місяців тому

    im fucked

  • @alekseiegorov9857
    @alekseiegorov9857 Рік тому

    Great explanation! Thank you!