Udemy - Introduction to Quantum Chemistry Simulation

Files:

• Get Bonus Downloads Here.url (0.2 KB)
~Get Your Files Here ! 1 - Introduction
• 1 -Installing Psi4.mp4 (71.9 MB)
• 2 -Using Psi4 Through Google Collab.mp4 (12.6 MB)
10 - Self-Consistency
• 1 -Introduction to Self-Consistency.mp4 (45.1 MB)
• 2 -Self-Consistent Convergence.mp4 (57.1 MB)
11 - Basis Set Superposition Error
• 1 -Introduction to Basis Set Superposition Error.mp4 (37.7 MB)
• 2 -Counterpoise Correction.mp4 (15.8 MB)
• 3 -Counterpoise Correction Example.mp4 (88.5 MB)
12 - Charge and Multiplicity
• 1 -Introduction to Multiplicity.mp4 (11.3 MB)
• 2 -Setting Multiplicity for H.mp4 (22.8 MB)
• 3 -Setting Multiplicity for He.mp4 (26.4 MB)
• 4 -Setting Multiplicity for O2.mp4 (27.6 MB)
• 5 -Setting Charges.mp4 (30.5 MB)
13 - Restricted and Unrestricted Calculations
• 1 -RHF vs. UHF. vs. ROHF.mp4 (46.0 MB)
14 - Basics of Multi-Configurational Calculations
• 1 -H2 Dissociation.mp4 (182.3 MB)
• 2 -CASSCF Calculations.mp4 (55.4 MB)
• 3 -N2 Dissociation.mp4 (104.4 MB)
15 - Excited States
• 1 -CCSD-EOM Calculations.mp4 (150.6 MB)
• 2 -Irreducible Representations.mp4 (122.0 MB)
2 - First Calculations
• 1 -Energy of Hydrogen.mp4 (132.5 MB)
• 2 -Using the Psi4 Python Interface.mp4 (41.3 MB)
• 3 -Energy of H2.mp4 (83.3 MB)
• 4 -Potential Energy Surface of H2.mp4 (88.8 MB)
3 - Geometry Optimization
• 1 -Introduction to Geometry Optimizations.mp4 (39.1 MB)
• 2 -Geometry Optimization of H2.mp4 (70.7 MB)
4 - Calculating Enthalpy
• 1 -Introduction to Enthalpy.mp4 (21.8 MB)
• 2 -Enthalpy of H2.mp4 (91.9 MB)
5 - Z-Matrices Basics
• 1 -Introduction to Z-Matrices.mp4 (55.2 MB)
• 2 -Z-Matrix for Water.mp4 (86.8 MB)
• 3 -Z-Matrix for HOF.mp4 (131.7 MB)
• 4 -Representing Dihedral Angles in Z-Matrices.mp4 (32.0 MB)
6 - Symmetry and Constraints
• 1 -Constraining Variables.mp4 (93.2 MB)
• 2 -Symmetry.mp4 (26.3 MB)
• 3 -Setting the Symmetry Explicitly.mp4 (23.5 MB)
7 - What is Hard About Quantum Chemistry
• 1 -Quantum Particles are Diffuse.mp4 (30.7 MB)
• 2 -Quantum Particles are Correlated.mp4 (34.5 MB)
• 3 -The Math is Harder.mp4 (52.1 MB)
8 - Basis Set Basics
• 1 -Basis Set Basics.mp4 (47.6 MB)
• 2 -From Gaussians to Slaters.mp4 (23.4 MB)
• 3 -Representing Higher Angular Momentum Orbitals.mp4 (16.2 MB)
• 4 -Selecting a Basis Set.mp4 (35.7 MB)
• 5 -The Basis Set Exchange.mp4 (43.6 MB)
9 - Methodologies
• 1 -Overview of Methodologies.mp4 (37.3 MB)
• 2 -Hartree-Fock Theory.mp4 (47.4 MB)
• 3 -Basics of Post-HF Theory.mp4 (82.6 MB)
• Bonus Resources.txt (0.1 KB)