Oct 20, 2025 · Quantum Chemistry Few fields will get value from quantum computing as quickly as chemistry. Even today’s supercomputers struggle to model a single molecule in its full …

Oct 18, 2016 · This is really a quantum physics question; there is a difference between the energy of a system with two distinguishable elements and a system with two indistinguishable …

Oct 24, 2018 · In quantum chemistry, the multireference configuration interaction (MRCI) method consists of a configuration interaction expansion of the eigenstates of the electronic molecular …

Nov 1, 2015 · They must be orthogonal with respect to some other wavefunction. However I have seen some textbooks refer to single wavefunctions as being orthogonal. Am I missing some …

In talking about Raman spectroscopy, one finds the Stokes line is simply the difference between the energy of an incoming photon and an emitted photon. This energy corresponds to a …

Mar 13, 2018 · I am very confused regarding these four terms- ψ,|ψ|², radial probability and radial distribution I know that ψ is called the wave function but is it the same as radial probability? I …

Oct 15, 2014 · What are the definitions of these three things and how are they related? I've tried looking online but there is no concrete answer online for this question.

Nov 7, 2015 · Cool. If we apply this argument to a two-electron system, e.g. He or H2, then we can "prove" the exchange integral is positive?

Mar 17, 2017 · quantum-chemistry computational-chemistry electronic-configuration molecular-structure See similar questions with these tags.

Oct 13, 2025 · Quantum chemistry is a subfield of quantum mechanics. Like its parent field, quantum chemistry focuses on understanding physical phenomena occuring at the atomic scale.