Main   News   Research   Members   Courses   Notes   Publications   Opportunities   Resources   Q-Chem   PSI   Group Area

Search the Sherrill Group

• A Brief Review of Elementary Quantum Chemistry (PDF)
• An Introduction to Electronic Structure Theory (PDF)
• The Born-Oppenheimer Approximation (PDF)
• Time Evolution of Wavefunctions (PDF)
• Angular Momentum Summary (PDF)
• The Unitary Group Form of the Hamiltonian (PDF)
• Introduction to Hartree-Fock Theory (PDF)
• Permutational Symmetries of Integrals (PDF)
• Notes on Excited Electronic States (PDF)
• The Quantum Harmonic Oscillator (PDF)
• Assigning Symmetries of Vibrational Modes (PDF)
• Notes on Elementary Linear Algebra (PDF)

• Configuration Interaction (PDF)
• Configuration Interaction Singles (CIS) For Excited Electronic States (PDF)
• Analytic Gradients of Configuration Interaction Energies (PDF)
• Computational Scaling of Configuration Interaction Methods (PDF)
• The Davidson Correction (PDF)

• Pulay's Direct Inversion of the Iterative Subspace (DIIS) Convergence Acceleration Method (PDF)

• Sample Z-Matrix Inputs by Prof. Anna Krylov
• Notes on Basis Sets and Integral Evaluation (with programming project) by Prof. Edward Valeev

Copyright Notice: These documents were originally created for internal use. Although we have made them available for browsing, they should be considered works in progress, and we do not guarantee their accuracy or validity. Each document is copyrighted by the author. Please do not copy, reproduce, transmit, modify, or redistribute in any form without the author's written consent.