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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).
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
Python-based Simulations of Chemistry Framework (PySCF) is an ab initio computational chemistry program natively implemented in Python program language. [ 1 ] [ 2 ] The package aims to provide a simple, light-weight and efficient platform for quantum chemistry code developing and calculation.
Software configuration management (SCM), a.k.a. software change and configuration management (SCCM), [1] is the software engineering practice of tracking and controlling changes to a software system; part of the larger cross-disciplinary field of configuration management (CM). [2] SCM includes version control and the establishment of baselines.
Configuration items are represented by their properties. These properties can be common to all the configuration items (e.g. unique item code that we will generate, description of function, end of the lifecycle or business owner that is approving configuration item changes and technical owner, i.e. administrator, that is supporting it and implementing the changes).
Configuration control and configuration-status accounting; Naming conventions; Audits and reviews; Subcontractor/vendor CM requirements; Configuration Identification (CI): consists of setting and maintaining baselines, which define the system or subsystem architecture, components, and any developments at any point in time.
In quantum chemistry, the multireference configuration interaction (MRCI) method consists of a configuration interaction expansion of the eigenstates of the electronic molecular Hamiltonian in a set of Slater determinants which correspond to excitations of the ground state electronic configuration but also of some excited states.
A configuration management database (CMDB) is an ITIL term for a database used by an organization to store information about hardware and software assets (commonly referred to as configuration items). It is useful to break down configuration items into logical layers. [1]