This material is based upon work supported jointly by the U.S. Department of Energy under Grant DE-FG02-04ER15621, the National Science Foundation under CHE-0450462 and CHE-0844448 (CAREER), the ACS Petroleum Research Fund (48440-AC6), and the Camille & Henry Dreyfus Foundation, Inc. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the sponsoring agencies.
Explicitly correlated coupled-cluster theory algebraic equations
See the supplementary electronic document of T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, Physical Chemistry Chemical Physics 10, 3358–3370 (2008).
Electron-correlation theory algebraic equation database
S. Hirata, The Journal of Physical Chemistry A, 107, 9887–9897 (2003).
S. Hirata, The Journal of Chemical Physics 121, 51–59 (2004).
S. Hirata, P.-D. Fan, A. A. Auer, M. Nooijen, and P. Piecuch, The Journal of Chemical Physics 121, 12197–12207 (2004).
S. Hirata, The Journal of Chemical Physics 122, 094105 (2005).
P.-D. Fan and S. Hirata, The Journal of Chemical Physics 124, 104108 (2006).
S. Hirata, Theoretical Chemistry Accounts 116, 2–17 (2006).
M. Kamiya and S. Hirata, The Journal of Chemical Physics 125, 074111 (2006).
CCSD (E, T1, T2)
CCSDT (E, T1, T2, T3)
CCSDTQ (E, T1, T2, T3, T4);
CCSD-Λ (Λ1, Λ2)
CCSDT-Λ (Λ1, Λ2, Λ3)
CCSDTQ-Λ (Λ1, Λ2, Λ3, Λ4);
EOM-CCSD (R1, R2, L1, L2)
EOM-CCSDT (R1, R2, R3, L1, L2, L3)
EOM-CCSDTQ (R1, R2, R3, R4, L1, L2, L3, L4)
IP-EOM-CCSD (R1, R2)
IP-EOM-CCSDT (R1, R2, R3)
IP-EOM-CCSDTQ (R1, R2, R3, R4)
EA-EOM-CCSD (R1, R2)
EA-EOM-CCSDT (R1, R2, R3)
EA-EOM-CCSDTQ (R1, R2, R3, R4)
EA-EOM-CCSD(3p2h) (R1, R2, R3)
EA-EOM-CCSDT(4p3h) (R1, R2, R3, R4)
EOM-CCSD-μ1
EOM-CCSDT-μ1
EOM-CCSDTQ-μ1
EOM-CCSD-d
EOM-CCSDT-d
EOM-CCSDTQ-d;
CCSD(T) (S, D)
CCSD(2) (T, Q1, Q2)
CCSDT(2) (Q1, Q2)
CR-CCSD(T) (A, B, C);
CISD (E, C1, C2)
CISDT (E, C1, C2, C3)
CISDTQ (E, C1, C2, C3, C4)
MBPT1 (T1, T2)
MBPT2 (E, T1, T2, T2B, T3, T4)
MBPT3 (E, T1, T2)
MBPT4 (E)
CCD (E, T2)
LCCD (E, T2)
LCCSD (E, T1, T2)
QCISD (E, T1, T2);
CIS (R1)
CIS-μ1
CIS-d
CIS(D) (D, Tf)
CIS(3) (DD, TTf, DTf)
CIS(4) (D, Tf)
Electron-correlation theory benchmark database
LCCD
LCCSD
CCD
CCSD
CCSDT
CCSDTQ
QCISD
EOM-CCSD ω,μ1
EOM-CCSDT ω,μ1
EOM-CCSDTQ ω,μ1
CC(2) THROUGH CC(8)
CI(2) THROUGH CI(8)
MBPT(2) THROUGH MBPT(20)
EOM-CC(2) THROUGH EOM-CC(6)
IP-EOM-CC(2), IP-EOM-CC(3), IP-EOM-CC(4)