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The helium dimer is a van der Waals molecule with formula He 2 consisting of two helium atoms. [2] This chemical is the largest diatomic molecule—a molecule consisting of two atoms bonded together. The bond that holds this dimer together is so weak that it will break if the molecule rotates, or vibrates too much.
Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms. Molecular orbital theory revolutionized the study of chemical bonding by approximating the states of bonded electrons – the molecular orbitals – as ...
In any quantum computer the decoherence of the qubit wavefunction, due to energy relaxation or dephasing effects, must be limited to a suitably low rate. For electron-on-helium qubits, deformations of the helium surface due to surface or bulk excitations (ripplons or phonons) modify the image charge potential and distort the electron wavefunction.
This notation is used to specify electron configurations and to create the term symbol for the electron states in a multi-electron atom. When writing a term symbol, the above scheme for a single electron's orbital quantum number is applied to the total orbital angular momentum associated to an electron state.
Some quantum chemistry software uses sets of Slater-type functions (STF) analogous to Slater type orbitals, but with variable exponents chosen to minimize the total molecular energy (rather than by Slater's rules as above). The fact that products of two STOs on distinct atoms are more difficult to express than those of Gaussian functions (which ...
Quantum dimer models were introduced to model the physics of resonating valence bond (RVB) states in lattice spin systems. The only degrees of freedom retained from the motivating spin systems are the valence bonds, represented as dimers which live on the lattice bonds. In typical dimer models, the dimers do not overlap ("hardcore constraint").
The Efimov effect is an effect in the quantum mechanics of few-body systems predicted by the Russian theoretical physicist V. N. Efimov [1] [2] in 1970. Efimov's effect is where three identical bosons interact, with the prediction of an infinite series of excited three-body energy levels when a two-body state is exactly at the dissociation threshold.
The use of Gaussian orbitals in electronic structure theory (instead of the more physical Slater-type orbitals) was first proposed by Boys [2] in 1950. The principal reason for the use of Gaussian basis functions in molecular quantum chemical calculations is the 'Gaussian Product Theorem', which guarantees that the product of two GTOs centered on two different atoms is a finite sum of ...