Coupled-cluster theory in quantum chemistry
Citations
4,666 citations
2,396 citations
1,919 citations
1,492 citations
1,490 citations
References
47,477 citations
"Coupled-cluster theory in quantum c..." refers background in this paper
...For any other choice of orbitals and reference determinant, such as Kohn-Sham where the density is given by a single determinant Kohn and Sham, 1965 , natural Löwdin, 1955 where the first natural determinant gives the best single determinant approximation to the density matrix , and Brueckner…...
[...]
26,705 citations
"Coupled-cluster theory in quantum c..." refers background in this paper
...High-level calculations will typically use a converging series of Gaussian basis functions such as the cc-pVXZ sets Dunning, 1989; Kendall et al., 1992; Woon and Dunning, 1993 or atomic natural orbital sets Almlöf and Taylor, 1987 , where cc means “correlation consistent,” the pV indicates…...
[...]
12,969 citations
"Coupled-cluster theory in quantum c..." refers background in this paper
...High-level calculations will typically use a converging series of Gaussian basis functions such as the cc-pVXZ sets Dunning, 1989; Kendall et al., 1992; Woon and Dunning, 1993 or atomic natural orbital sets Almlöf and Taylor, 1987 , where cc means “correlation consistent,” the pV indicates…...
[...]
7,249 citations
5,603 citations
"Coupled-cluster theory in quantum c..." refers background or methods in this paper
...Yet, today, CCSD Purvis and Bartlett, 1982 , CCSDT-1 Lee et al., 1984 , CCSDT-3 Noga et al., 1987 , CCSD T Urban et al., 1985 , and CCSD T Ragavachari et al., 1989; Bartlett et al., 1990 calculations are done with 300 basis functions and have used 600....
[...]
...Starting in 1978 general purpose programs and applications of CC theory were developed Bartlett and Purvis, 1978, 1980; Pople et al., 1978; Purvis and Bartlett, 1982 ....
[...]
...The role of single excitations in CCSD Purvis and Bartlett, 1982 theory, CCSD=exp T1+T2 0 , is quite important....
[...]
...CCSD was first formulated and implemented in 1982 Purvis and Bartlett, 1982 ....
[...]