Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles
نویسندگان
چکیده
منابع مشابه
Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles.
The recent proposal to determine the (exact) correlation energy based on pairing matrix fluctuations by van Aggelen et al. ["Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation," preprint arXiv:1306.4957 (2013)] revived the interest in the simplest approximation along this path: the particle-particle random phase approximation (pp-RPA...
متن کاملExchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.
Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA)...
متن کاملThe ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach.
We present an analytic proof demonstrating the equivalence between the random phase approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the coupled cluster doubles (CCD) equations. In the CCD framework, the RPA equations can be solved in O(N(4)) computational effort, where N is proportional to the number of basis functions.
متن کاملOn the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions.
The correlation energy in the direct random phase approximation (dRPA) can be written, among other possibilities, either in terms of the interaction strength averaged correlation density matrix, or in terms of the coupled cluster doubles amplitudes obtained in the direct ring approximation (drCCD). Although the corresponding dRPA correlation density matrix on the one hand, and the drCCD amplitu...
متن کاملRandom-phase approximation excitation energies from approximate equation-of-motion ring coupled-cluster doubles
The ground-state correlation energy calculated in the random-phase approximation (RPA) is known to be identical to that calculated using a subset of terms appearing in coupled-cluster theory with double excitations. In particular, this equivalence requires keeping only those terms that generate time-independent ring diagrams, in the Goldstone sense. Here I show that this equivalence extends to ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2013
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4820556