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Free Energy

Yue Ma

For a thermodynamic process, the “lost” internal energy (the sum of kinetic and potential energy of the system) which can be converted to external work is described by the term free energy, also known as the thermodynamic free energy, which is a state function.

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Full Configuration Interaction

Ryan Choi

Full configuration interaction (FCI) is a variational method that improves upon Hartree-Fock. It is numerically exact, and is therefore used to benchmark other methods; however, it is also computationally expensive, limited to about sixteen electrons in sixteen orbitals.

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