Marketing Materials
Q-Chem Logo
Grab our Q-Chem logo and place it on your website to help promote Q-Chem to your visitors! The logo below is a high-quality png version of our logo image, which you can "right click" and save.
Q-Chem Brochures
The brochure linked below provides an overview of Q-Chem features, ranging from general features like DFT to the newest cutting-edge methods! Read it to learn more.
You are welcome to redistribute the PDF version virtually, or print for redistribution. If you would like different dimensions aside from 8.5x11, want a translation, or need other modifications, please contact shouck@q-chem.com to make a request. (Note: If you are printing with full bleed, please use the version labeled "full bleed" which includes bleed marks; otherwise, please use the regular version.)
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Q-Chem Brochure (Q-Chem 6.3, 2025) |
Whitepapers
Special Topics
Potential Energy Surfaces
Post-Hartree-Fock Methods
Variational Two-Electron Reduced-Density-Matrix (v2RDM) Methods
Regularized Orbital-Optimized Møller-Plesset Perturbation Theory for Strongly Correlated Species
Dual-Basis SCF and MP2 Methods
Adaptive Sampling Configuration Interaction (ASCI) Method
Restricted Active Space Spin-Flip (RAS-SF) Configuration Interaction Approach
Coupled-Cluster Valence-Bond Singles and Doubles (CCVB-SD) for Strongly Correlated Systems
Post Hartree-Fock Features
Performance
Energy Decomposition Analysis
Solvation and Embedding
Spectroscopy Modeling
Simulating X-ray Absorption and Emission Spectra with TDDFT
Correlated Methods for Core-Level Spectra
Simulating Electronic Spectroscopy using ezSpectra Suite
Algebraic Diagrammatic Construction (ADC) Methods for Core-Excited States
Simulating Resonance Raman Spectroscopy with the IMDHO model
X-Ray Absorption Spectroscopy with $\Delta$SCF/ROKS
X-ray Photoelectron Spectroscopy of Ground and Excited States
Simulating L-edge X-ray Absorption and Photoelectron Spectra with Equation-of-Motion Coupled-Cluster Methods
Simulating Vibrationally Resolved Electronic and Raman Spectra
Non-Orthogonal Configuration Interaction with Single Substitutions (NOCIS) for Core-Excited States
Simulating X-ray Spectra with Q-Chem
Simulating ECD Spectra Using the ADC Schemes of the Polarization Propagator
Calculating Spin-orbit Coupling with Q-Chem
Density Functional Theory
Dispersion Correction in Density Functional Theory
Constrained Density Functional Theory (CDFT)
Absolutely Localized Molecular Orbitals Based Energy Decomposition Analysis (ALMO-EDA) for Intermolecular Binding Interactions
Extended Symmetry-Adapted Perturbation Theory (XSAPT)
Analyzing the Effect of Charge Transfer Using Absolutely Localized Molecular Orbitals
Property Analysis
Density Functional Theory Features
Thermally-Assisted-Occupation Density Functional Theory (TAO-DFT)
Excited States
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Q-CHEM 5 PAPER Publication: Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package |
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Q-CHEM 4 PAPER Publication: Advances in molecular quantum chemistry contained in the Q-Chem 4 program package |
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Q-Chem Webinar MP4 Files |
