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It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).
CSP: Communicating sequential processes; formal language for describing patterns of interaction in concurrent systems. FDR2 is a refinement checking tool for CSP, comparing two models for compatibility. DVE input language: a system is described as Network of Extended Finite State Machines communicating via shared variables and unbuffered channels.
The Davidson correction is an energy correction often applied in calculations using the method of truncated configuration interaction, which is one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry. It was introduced by Ernest R. Davidson. [1]
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Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically, configuration simply describes the linear combination of Slater determinants used for the
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SPIN is a general tool for verifying the correctness of concurrent software models in a rigorous and mostly automated fashion. It was written by Gerard J. Holzmann and others in the original Unix group of the Computing Sciences Research Center at Bell Labs, beginning in 1980. The software has been available freely since 1991, and continues to ...
In quantum chemistry, size consistency and size extensivity are concepts relating to how the behaviour of quantum-chemistry calculations changes with the system size. Size consistency (or strict separability) is a property that guarantees the consistency of the energy behaviour when interaction between the involved molecular subsystems is nullified (for example, by distance).