Local coupled cluster

Schiitz M, Werner H-J. Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD). J Chem Phys 2001 114 661-681. [Pg.87]

Riplinger, C., Sandhoefer, B., Hansen, A., and Neese, F. (2013). Natural triple excitations in local coupled cluster calculations with pair natural orbitals, . Chem. Phys. 139, p. 134101, doiilO,1063/1,4821834. [Pg.116]

Werner, H.-J., and Schiitz, M. (2011). An efficient local coupled cluster method for accurate thermochemistry of large systems, / Chem. Phys. 135, p. 144116, doi 10.1063/1.3641642. [Pg.120]

Optical Parameters of r-Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory... [Pg.57]

Electron Correlation Methods. IV. Linear Scaling Local Coupled-Cluster (LCCSD). [Pg.35]

Remember that the matrices are of dimension Apoo X Apoo- Due to the nonorthogonality of the POOs and the non diagonal structure of the fock matrix, the usual simple updating scheme for the solution of the Riccati equations should be modified in a similar fashion as in the local coupled cluster theory [29]. The fock matrix in... [Pg.110]

Kats D, Schutz M (2009) A multistate local coupled cluster CC2 response method based on the Laplace transform. J Chem Phys 131(12) 124117. doi 10.1063/1.3237134... [Pg.274]

Schutz M, Manby ER (2003) Linear scaling local coupled cluster theory with density fitting. Part 1 4-extemal integrals. Phys Chem Chem Phys 5 3349-3358... [Pg.66]

Schutz M (2002) A new, fast, semi-direct implementation of linear scaling local coupled cluster theory. Phys Chem Chem Phys 4 3941-3947... [Pg.67]

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