(1/2) > >>

[1] (T) bit of CCSD(T) calculation taking forever

[2] CCSD(T)-pVTZ calculations with BSSE correction

[3] There is at least one positive pair energy in the explicitly correlated part!

[4] CCSD single and doubles amplitudes

[5] Two particle density matrix generation

[6] CCSDF12 for SO2 - basis set?

[7] CCSD(F12) and temporary directory (ccsdf12, TM V7.5.1)

[8] KS-CCSD, KS-CCSD(F12), KS-CCSD(T)(F12)

[9] Number of "start occ. triples" cycles during the calculation of the triples


[0] Up one level

[#] Next page

Go to full version