Quantum Chemistry News

Quantum chemistry is a branch of chemistry focused on the application of quantum mechanics to chemical problems and systems. It seeks to explain the behavior of electrons in atoms and molecules, which in turn helps in understanding chemical bonding, reaction dynamics, and physical properties of materials. Quantum chemistry uses mathematical models and techniques to calculate and predict molecular structures and properties, such as electron distribution, energy levels, and reaction rates. Techniques commonly employed in quantum chemistry include wavefunction methods like Hartree-Fock and post-Hartree-Fock, and density functional theory (DFT), which are used to approximate the solutions of the Schrödinger equation for molecular systems. This field is fundamental to many areas of chemistry and material science, aiding in the design of new materials and drugs, and it is integral to advancing nanotechnology and understanding biological processes at a molecular level.