Related Experiment Video
Updated: Feb 22, 2026

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
Published on: September 5, 2019
Communication: Explicitly correlated formalism for second-order single-particle Green's function
Fabijan Pavošević1, Chong Peng1, J V Ortiz2
1Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, USA.
Abstract:
We present an explicitly correlated formalism for the second-order single-particle Green's function method (GF2-F12) that does not assume the popular diagonal approximation and describes the energy dependence of the explicitly correlated terms. For small and medium organic molecules, the basis set errors of ionization potentials of GF2-F12 are radically improved relative to GF2: the performance of GF2-F12/aug-cc-pVDZ is better than that of GF2/aug-cc-pVQZ, at a significantly lower cost.
More Related Videos
14:12Dual-Color Fluorescence Cross-Correlation Spectroscopy to Study Protein-Protein Interaction and Protein Dynamics in Live Cells
Published on: December 11, 2021
08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Related Concept Videos
First Law: Particles in Two-dimensional Equilibrium
Newton's first law tells us about...
First Law: Particles in One-dimensional Equilibrium
The de Broglie Wavelength
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Molecular Orbital Theory II
The Quantum-Mechanical Model of an Atom