Аннотация:A method of calculation of static polarizabilities with wavefunctions, corresponding to linearly
approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] model, has
been formulated and implemented. For the proper description of the response of system on applied
electric field, modified ansatz is introduced for geminal part of cluster operators. Such extension
of CCSD(F12) model provides balanced description of both perturbed and unperturbed wave
functions, what leads to the increase of the accuracy of target polarizabilities. As a part of algorithm,
explicitly correlated version of coupled-perturbed CCSD equations has also been derived
and implemented. Numerical tests conducted for the set of eight molecules show good agreement
between static polarizabilities, calculated with developed explicitly correlated approach and
corresponding complete basis set results in regular CCSD already at triple-ζ level. Published by AIP
Publishing. [http://dx.doi.org/10.1063/1.4963748]