New posts in Quantum Chemistry

Chemistry - Maximum Local Value for the Electron Density

Chemistry - Effective core potential and Gaussian basis set

Chemistry - On the spin-adaptation of 2nd order Møller-Plesset perturbation theory

Chemistry - Particle in a box with different barriers between two molecules

Chemistry - Computing the commutator of the Fock and density matrices in AO basis (Hartree-Fock theory)

Chemistry - Electron Ionization and the Franck-Condon Diagram: vibrationally excited and vibrationally ground states

Chemistry - Are there any datasets containing molecules with more than 38 heavy atoms?

Chemistry - Developing Computational Chemistry Software

Chemistry - Why is there a z² label for d orbitals, but no x² and y² labels with corresponding shapes?

Chemistry - Why does the exchange interaction in Hartree-Fock theory lower the total energy?