Geometry optimization for large systems by the elongation method

Author:

Liu Kai,Inerbaev Talgat,Korchowiec Jacek,Gu Feng Long,Aoki Yuriko

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Reference60 articles.

1. Szabo A, Ostlund NS (1996) Modern quantum chemistry—introduction to advanced electronic structure theory. Dover Publications lnc, New York

2. Parr RG, Yang WT (1995) Density-functional theory of the electronic-structure of molecules. Annu Rev Phys Chem 46:701–728

3. Bartlett RJ (1991) Coupled-cluster theory in atomic physics and quantum-chemistry—introduction and overview. Theor Chim Acta 80:71–79

4. Bartlett RJ (2000) Perspective on “On the correlation problem in atomic and molecular systems. Calculation of wavefunction components in Ursell-type expansion using quantum-field theoretical methods”—Cizek J (1966) J Chem Phys 45: 4256. Theor Chem Acc 103:273–275

5. Bartlett RJ, Musial M (2007) Coupled-cluster theory in quantum chemistry. Rev Mod Phys 79:291–352

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