Analytic energy derivatives for the equation-of-motion coupled-cluster method: Algebraic expressions, implementation and application to theS 1 state of HFCO

Author:

Stanton John F.,Gauss J�rgen

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Reference80 articles.

1. See, for example, review articles by Werner H-J (p. 1); Shepard R (p. 62); Ross BO (p. 399) 1987 In: Lawley KP (ed.) Ab initio methods in quantum chemistry, Part II, Wiley, New York

2. Kim K, Shavitt I, Del Bene JE (1992) J Chem Phys 96:7573; Del Bene J, Kim K, Shavitt I (1991) Can J Chem 69:246, and references therein

3. Szalay PG, Karpfen A, Lischka H (1990) Chem Phys 141:355, and references therein

4. Pacchioni G, Koutecky J (1988) J Chem Phys 1066: and references therein

5. Bruna PJ, Peyerimhoff SD (1987) Adv Chem Phys 67:1 (1987), and references therein

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