Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

Relativistic equation-of-motion coupled-cluster method for the electron attachment problem

(2016) Himadri Pathak et al.   Computational and Theoretical Chemistry

Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations

(2015) Evgeny Epifanovsky et al.   JOURNAL OF CHEMICAL PHYSICS

Measurement of the first ionization potential of lawrencium, element 103

(2015) T. K. Sato et al.   NATURE

Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms

(2014) Himadri Pathak et al.   PHYSICAL REVIEW A

Relativistic equation-of-motion coupled-cluster method: Application to closed-shell atomic systems

(2014) Himadri Pathak et al.   PHYSICAL REVIEW A

Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules

(2014) Himadri Pathak et al.   PHYSICAL REVIEW A

Atomic properties of superheavy elements No, Lr, and Rf

(2014) V. A. Dzuba et al.   PHYSICAL REVIEW A

Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions

(2013) Jun Shen et al.   JOURNAL OF CHEMICAL PHYSICS

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling

(2012) Zheyan Tu et al.   JOURNAL OF CHEMICAL PHYSICS

Core correlating basis functions for elements 31–118

(2012) Kenneth G. Dyall   THEORETICAL CHEMISTRY ACCOUNTS

Multireference coupled-cluster theory: The easy way

(2011) Monika Musiał et al.   JOURNAL OF CHEMICAL PHYSICS

Coupled-cluster theory and its equation-of-motion extensions

(2011) Rodney J. Bartlett   Wiley Interdisciplinary Reviews-Computational Molecular Science

A coupled-cluster approach to the many-body perturbation theory for open-shell systems

(2010) Ingvar Lindgren   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements†

(2009) Kenneth G. Dyall   JOURNAL OF PHYSICAL CHEMISTRY A

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