| 1 -Basis Set Basics.mp4 | 47.6 MB | ||
| 1 -CCSD-EOM Calculations.mp4 | 150.6 MB | ||
| 1 -Constraining Variables.mp4 | 93.2 MB | ||
| 1 -Energy of Hydrogen.mp4 | 132.5 MB | ||
| 1 -H2 Dissociation.mp4 | 182.3 MB | ||
| 1 -Installing Psi4.mp4 | 71.9 MB | ||
| 1 -Introduction to Basis Set Superposition Error.mp4 | 37.7 MB | ||
| 1 -Introduction to Enthalpy.mp4 | 21.8 MB | ||
| 1 -Introduction to Geometry Optimizations.mp4 | 39.1 MB | ||
| 1 -Introduction to Multiplicity.mp4 | 11.3 MB | ||
| 1 -Introduction to Self-Consistency.mp4 | 45.1 MB | ||
| 1 -Introduction to Z-Matrices.mp4 | 55.2 MB | ||
| 1 -Overview of Methodologies.mp4 | 37.3 MB | ||
| 1 -Quantum Particles are Diffuse.mp4 | 30.7 MB | ||
| 1 -RHF vs. UHF. vs. ROHF.mp4 | 46 MB | ||
| 2 -CASSCF Calculations.mp4 | 55.4 MB | ||
| 2 -Counterpoise Correction.mp4 | 15.8 MB | ||
| 2 -Enthalpy of H2.mp4 | 91.9 MB | ||
| 2 -From Gaussians to Slaters.mp4 | 23.4 MB | ||
| 2 -Geometry Optimization of H2.mp4 | 70.7 MB | ||
| 2 -Hartree-Fock Theory.mp4 | 47.4 MB | ||
| 2 -Irreducible Representations.mp4 | 122 MB | ||
| 2 -Quantum Particles are Correlated.mp4 | 34.5 MB | ||
| 2 -Self-Consistent Convergence.mp4 | 57.1 MB | ||
| 2 -Setting Multiplicity for H.mp4 | 22.8 MB | ||
| 2 -Symmetry.mp4 | 26.3 MB | ||
| 2 -Using Psi4 Through Google Collab.mp4 | 12.6 MB | ||
| 2 -Using the Psi4 Python Interface.mp4 | 41.3 MB | ||
| 2 -Z-Matrix for Water.mp4 | 86.8 MB | ||
| 3 -Basics of Post-HF Theory.mp4 | 82.6 MB | ||
| 3 -Counterpoise Correction Example.mp4 | 88.5 MB | ||
| 3 -Energy of H2.mp4 | 83.3 MB | ||
| 3 -N2 Dissociation.mp4 | 104.4 MB | ||
| 3 -Representing Higher Angular Momentum Orbitals.mp4 | 16.2 MB | ||
| 3 -Setting Multiplicity for He.mp4 | 26.4 MB | ||
| 3 -Setting the Symmetry Explicitly.mp4 | 23.5 MB | ||
| 3 -The Math is Harder.mp4 | 52.1 MB | ||
| 3 -Z-Matrix for HOF.mp4 | 131.7 MB | ||
| 4 -Potential Energy Surface of H2.mp4 | 88.8 MB | ||
| 4 -Representing Dihedral Angles in Z-Matrices.mp4 | 32 MB | ||
| 4 -Selecting a Basis Set.mp4 | 35.7 MB | ||
| 4 -Setting Multiplicity for O2.mp4 | 27.6 MB | ||
| 5 -Setting Charges.mp4 | 30.5 MB | ||
| 5 -The Basis Set Exchange.mp4 | 43.6 MB | ||
| Bonus Resources.txt | 102.4 B | ||
| Get Bonus Downloads Here.url | 204.8 B | ||
| ▲ 46 total files | |||
Introduction to Quantum Chemistry Simulation
https://WebToolTip.com
Published 4/2025
MP4 | Video: h264, 1280x720 | Audio: AAC, 44.1 KHz, 2 Ch
Language: English | Duration: 7h 6m | Size: 2.51 GB
Using Gaussian Based Quantum Chemistry Software to Simulate Chemical Systems
What you'll learn
Understand the basics of using quantum mechanics to simulate chemical systems
Run simulations of real chemical systems using Psi4
Identify the correct method and basis set to use for different types of problems
Calculate energies and optimized geometries
Evaluate thermodynamic quantities of molecular systems
Requirements
Students should have completed roughly the equivalent of an advanced high school chemistry course.
No programming experience is required.
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| 699.7 MB | freecoursewb | 4 days | 4 | 1 | |
| 2.7 GB | freecoursewb | 1 week | 25 | 12 | |
| 1.7 GB | freecoursewb | 2 weeks | 20 | 8 | |
| 1.2 GB | freecoursewb | 2 weeks | 5 | 8 | |
| 794.5 MB | freecoursewb | 2 weeks | 0 | 0 |
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