Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses

Symplectic integration and physical interpretation of time-dependent coupled-cluster theory

(2019) Thomas Bondo Pedersen et al.   JOURNAL OF CHEMICAL PHYSICS

A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy

(2019) Daniel R. Nascimento et al.   JOURNAL OF CHEMICAL PHYSICS

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster

(2019) Lauren N. Koulias et al.   Journal of Chemical Theory and Computation

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

(2018) Takeshi Sato et al.   JOURNAL OF CHEMICAL PHYSICS

Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction

(2018) Rolf H. Myhre   JOURNAL OF CHEMICAL PHYSICS

Interplay between Electronic Correlation and Metal–Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu2+ Complexes

(2018) Emmanuel Giner et al.   Journal of Chemical Theory and Computation

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory

(2017) Daniel R. Nascimento et al.   Journal of Physical Chemistry Letters

Py SCF: the Python-based simulations of chemistry framework

(2017) Qiming Sun et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster Theory

(2016) Daniel R. Nascimento et al.   Journal of Chemical Theory and Computation

Ab initio quantum dynamics using coupled-cluster

(2012) Simen Kvaal   JOURNAL OF CHEMICAL PHYSICS

Computation of high-harmonic generation spectra of H2and N2in intense laser pulses using quantum chemistry methods and time-dependent density functional theory

(2012) Eleonora Luppi et al.   MOLECULAR PHYSICS

Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics

(2011) Christian Huber et al.   JOURNAL OF CHEMICAL PHYSICS

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

(2011) Uğur Bozkaya et al.   JOURNAL OF CHEMICAL PHYSICS

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

(2010) Brian P. Prascher et al.   THEORETICAL CHEMISTRY ACCOUNTS