Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism

Comparison of configuration interaction expansions based on different orbital transformations

(2010) Isaiah Shavitt et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Experimental Observation of Guanine Tautomers with VUV Photoionization

(2009) Jia Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The effect of π-stacking and H-bonding on ionization energies of a nucleobase: uracil dimer cation

(2009) Anna A. Golubeva et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

(2008) Anna I. Krylov   Annual Review of Physical Chemistry

Frozen natural orbital coupled-cluster theory: Forces and application to decomposition of nitroethane

(2008) Andrew G. Taube et al.   JOURNAL OF CHEMICAL PHYSICS

Charge localization and Jahn–Teller distortions in the benzene dimer cation

(2008) Piotr A. Pieniazek et al.   JOURNAL OF CHEMICAL PHYSICS

Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivatives

(2008) Andrew G. Taube et al.   JOURNAL OF CHEMICAL PHYSICS

Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces

(2008) Andrew G. Taube et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Structure of the Water Dimer Cation

(2008) Piotr A. Pieniazek et al.   JOURNAL OF PHYSICAL CHEMISTRY A