Vibrational coupled cluster theory with full two-mode and approximate three-mode couplings: The VCC[2pt3] model

A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids

(2009) Eduard Matito et al.   JOURNAL OF CHEMICAL PHYSICS

The vibrational auto-adjusting perturbation theory

(2009) Eduard Matito et al.   THEORETICAL CHEMISTRY ACCOUNTS

Predictive electronic and vibrational many-body methods for molecules and macromolecules

(2008) So Hirata et al.   CHEMICAL PHYSICS LETTERS

Vibrational energy levels of CH5+

(2008) Xiao-Gang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Towards fast computations of correlated vibrational wave functions: Vibrational coupled cluster response excitation energies at the two-mode coupling level

(2008) Peter Seidler et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6

(2008) Kiyoshi Yagi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS