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Episode 120: Computational Chemistry Part 2
Manage episode 298843552 series 2360076
Treść dostarczona przez James Fodor. Cała zawartość podcastów, w tym odcinki, grafika i opisy podcastów, jest przesyłana i udostępniana bezpośrednio przez James Fodor lub jego partnera na platformie podcastów. Jeśli uważasz, że ktoś wykorzystuje Twoje dzieło chronione prawem autorskim bez Twojej zgody, możesz postępować zgodnie z procedurą opisaną tutaj https://pl.player.fm/legal.
Building on the previous discussion of Hartree-Fock Theory, I discuss the inclusion of basis functions to produce the Roothaan equations, and the method of solving these using self-consistent field methods. I then provide an introduction into techniques to incorporate electron correlation by adding Slater determinants, focusing on the Configuration Interaction method. I then provide a brief overview of semi-empirical methods, Density Functional Theory, and molecular mechanics. Recommended pre-listening is Episode 119: Computational Chemistry Part 1.
If you enjoyed the podcast please consider supporting the show by making a PayPal donation or becoming a Patreon supporter.
https://www.patreon.com/jamesfodor
https://www.paypal.me/ScienceofEverything
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Manage episode 298843552 series 2360076
Treść dostarczona przez James Fodor. Cała zawartość podcastów, w tym odcinki, grafika i opisy podcastów, jest przesyłana i udostępniana bezpośrednio przez James Fodor lub jego partnera na platformie podcastów. Jeśli uważasz, że ktoś wykorzystuje Twoje dzieło chronione prawem autorskim bez Twojej zgody, możesz postępować zgodnie z procedurą opisaną tutaj https://pl.player.fm/legal.
Building on the previous discussion of Hartree-Fock Theory, I discuss the inclusion of basis functions to produce the Roothaan equations, and the method of solving these using self-consistent field methods. I then provide an introduction into techniques to incorporate electron correlation by adding Slater determinants, focusing on the Configuration Interaction method. I then provide a brief overview of semi-empirical methods, Density Functional Theory, and molecular mechanics. Recommended pre-listening is Episode 119: Computational Chemistry Part 1.
If you enjoyed the podcast please consider supporting the show by making a PayPal donation or becoming a Patreon supporter.
https://www.patreon.com/jamesfodor
https://www.paypal.me/ScienceofEverything
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Podobny do The Science of Everything Podcast
Explorations in the world of science.
…
continue reading
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…
continue reading
Interviews with Anthropologists about their New Books Support our show by becoming a premium member! https://newbooksnetwork.supportingcast.fm/anthropology
…
continue reading
This Anthro Life is the premiere go-to Anthropology Podcast that fuses human insights with cultural storytelling. We equip you with a deep understanding of the human experience to revolutionize your decision-making strategies and social impact. Head over to https://www.thisanthrolife.org to learn more. Spearheaded by acclaimed Anthropologist Dr. Adam Gamwell, This Anthro Life equips leaders, individuals, and organizations to shape a more compassionate future. We aim to broaden perspectives a ...
…
continue reading
Whether the topic is popcorn or particle physics, you can count on BrainStuff to explore -- and explain -- the everyday science in the world around us.
…
continue reading
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…
continue reading
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…
continue reading
Get ready to have your spine tingling and your hairs standing on end with the Daily Paranormal Podcast hosted by Tony Brueski. This show is no joke - it's packed with real-life horror stories of ghosts, demons, haunted houses, possessions, shadow people, and all things supernatural that will leave you quivering with fear. Our listeners can't get enough of our bone-chilling tales, describing them as the "best ghost story podcast out there." Don't expect the same old cliché zombies, vampires, ...
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Get in-depth coverage of current and future trends in technology, and how they are shaping business, entertainment, communications, science, politics, and society.
…
continue reading
Each week we bring you a new, in-depth exploration of the space where science and society collide. We’re committed to the idea that making an effort to understand the world around you though science and critical thinking can benefit everyone—and lead to better decisions. We want to find out what’s true, what’s left to discover, and why it all matters.
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continue reading
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