Erratum: “Driven similarity renormalization group: Third-order multireference perturbation theory” [J. Chem. Phys. 146, 124132 (2017)]

Comment on "multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)].

Renormalization-Group-improved perturbation theory

A method for computing the low-energy non-perturbative properties of SUSY GFT, starting from the microscopic lagrangian model, is presented. The method relies on covariant SUSY Feynman graph techniques, adapted to low energy, and RenormalizationGroup-improved perturbation theory. We apply the method to calculate the glueball superpotential in N = 1 SU(2) SYM and obtain a potential of the Venezi...

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group

We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals (CD-DMRG-NEVPT2). With a parameter-free multireference perturbation theory approach at hand, the latter allows us to efficiently describe static and dynamic co...

Multi-state Multireference Rayleigh–Schrödinger Perturbation Theory for Mixed Electronic States: Second and Third Order

The formalism for multi-state multireference configuration-based RayleighSchrödinger perturbation theory and procedures for its implementation for the second-order and third-order energy within a multireference configuration interaction computer program are reviewed. This formalism is designed for calculations on electronic states that involve strong mixing between different zero-order contribu...

Considerations in constructing a multireference second-order perturbation theory

For a closed shell ground state with no neardegeneracy effects, a Hartree-Fock calculation followed by second-order many-body perturbation theory, MBPT2, provides reasonably accurate results at low cost in computer time. Hence, for a multireference second-order perturbation theory, we would like a method that reduces to the MBPT2 method for a single closed shell reference state and which retain...