COLUMBUS
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- The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry
- Quantum Chemistry at Work (1) Introduction, General Discussion, Methods, Benchmarking
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
- TDDFT As a Tool in Chemistry II
- Software Development for Integrating Molpro with Newton-X for Adiabatic and Non-Adiabatic Excited State Dynamics
- Mössbauer Isomer Shifts and Effective Contact Densities Obtained by the Exact Two-Component (X2C) Relativistic Method and Its Local Variants
- Manual for the MRCC Program System
- Advances in Molecular Quantum Chemistry Contained in the Q-Chem
- Partial Compilation of Variational Algorithms for Noisy Intermediate-Scale Quantum Machines
- Ppsi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry
- Psi-K Highlight
- Analytic MR-CISD and MR-AQCC Gradients and MR-AQCC-LRT for Excited States, GUGA Spin–Orbit CI and Parallel CI Density¤
- The MERCURY Undergraduate Research Consortium
- Dr Marek Freindorf E-‐Mail: [email protected] Phone: (214)
- A Tutorial for Columbus
- Stefan Knecht, HHU Düsseldorf, D, 2009 (Pdf, 2.8
- Recent Developments in the Pyscf Program Package
- Tools for Parallel Quantum Chemistry Software