Density Functional Theory (DFT) Explained 🧠 | Lecture 4 by Dr. M. A. Hashmi скачать в хорошем качестве

Density Functional Theory (DFT) Explained 🧠 | Lecture 4 by Dr. M. A. Hashmi

🧪 Lecture 4: Density Functional Theory (DFT) In this lecture, Dr. M. A. Hashmi provides an accessible yet insightful introduction to Density Functional Theory, one of the most widely used methods in modern computational chemistry. 🔍 Topics Covered: Hartree-Fock theory & limitations Introduction to electron correlation Basic equations behind DFT Exchange-correlation functionals Hybrid functionals (e.g., B3LYP, PBE0) Dispersion corrections (e.g., DFT-D3) Integration grids and their importance 📌 This lecture is essential for understanding how DFT works, when to use it, and how to make better-informed decisions when selecting methods and functionals in software like Gaussian, ORCA, or Psi4. 🎓 Make sure to watch earlier lectures if you're just joining: • Lecture 1 – Introduction to Computational Chemistry [   • Introduction to Computational Chemistry 🧪 ...  ] • Lecture 2 – Theoretical Models & Molecular Structure [   • Theoretical Models & Molecular Structure i...  ] • Lecture 3 – Basis Sets & SCF Method [   • Understanding Basis Sets & SCF Method in C...  ] ✅ 📲 Follow & Connect with Dr. M. A. Hashmi: 🌐 Website: https://comp-chem.netlify.app/ 📘 Facebook: facebook.com/muhammadali.hashmi.33 📸 Instagram: instagram.com/hashmi_photography 🔔 Subscribe for more videos on computational chemistry, DFT, Gaussian tutorials, molecular simulations, and academic insights! #DensityFunctionalTheory #DFT #ComputationalChemistry #DrMAHashmi #Gaussian, #DFTCalculations, #DFT, #geometryoptimization, #frequencycalculation, #vibrationalanalysis, #homo-lumo, #HOMO-LUMOgap, #ESPcalculations, #electrostaticpotentialcalculation, #PES, #potentialenergysurface, #gaussiancalculations, #DFTtutorials, #Gaussview, #molecularmodeling, #materialsstudio, #CASTEP, #DMol3, #Forcite, #Moleculardynamics, #nanosheets, #dmol3, #docking, #Gromacs, #Quantumespresso, #materialsstudio, #ESPcalculations, #CASTEP, #MaterialsStudio, #DensityFunctionalTheory, #Computationalmaterialsscience, #Quantumchemistry, #DFTanalysis, #Calculationprogress, #Dataanalysis, #MaterialsStudiotips, #Simulationmonitoring, #MaterialsStudioworkflow, #Errorchecking, #DFTvalidation, #Post-processing, #Jobstatus, #MaterialsStudioguide, #Simulationanalysis, #DFTtroubleshooting, #Calculationlogs, #Scientificcomputing, #MaterialsStudiooverview, #Quantummechanicalcalculations, #Computationalchemistry.