A Jastrow factor coupled cluster theory for weak and strong electron correlation

摘要: We present a Jastrow-factor-inspired variant of coupled cluster theory that accurately describes both weak and strong electron correlation. Compatibility with quantum Monte Carlo allows for variational energy evaluations an antisymmetric geminal power reference, two features not in traditional facilitate nearly exact description the correlations minimal-basis N2 bond breaking. In double-zeta treatments HF H2O dissociations, where are important, this polynomial cost method proves more accurate than either or complete active space perturbation theory. These preliminary successes suggest deep connection between ways which operators Jastrow factors encode