Size consistency of an algebraic propagator approach

✍ Scribed by J. Schirmer; F. Mertins

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: English
• Weight: 1022 KB
• Volume: 58
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1996)58:4<329::aid-qua2>3.0.co;2-#

✦ Synopsis

The size consistency property of a general algebraic propagator method referred to as intermediate-state representation (ISR) is discussed. In this method intermediate states excited states" C,lV>) are used to represent the Hamiltonian H. Here C, denotes a physical excitation operator and I?:) is the N-electron ground state. The ISR secular equations are shown to be separable, that is, they decouple into independent (local) sets of equations for a system consisting of noninteracting (separate) fragments. This result follows from a general factorization theorem for the intermediate states. Separability is a sufficient condition for size consistency. 0 1996 John Wiley & Sons, Inc.

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