List of works - Lan Cheng

A study of non-iterative triples contributions in relativistic equation-of-motion coupled-cluster calculations using an exact two-component Hamiltonian with atomic mean-field spin-orbit integrals: Application to uranyl and other heavy-element compou

scientific article published on 01 September 2019

A theoretical and experimental benchmark study of core-excited states in nitrogen

scientific article published in February 2018

An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling

scientific article published on 01 April 2018

Atomic Mean-Field Approach within Exact Two-Component Theory Based on the Dirac–Coulomb–Breit Hamiltonian

scientific article published in 2022

Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods

scientific article published on 15 February 2019

Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements

scientific article published in 2022

Bond Dissociation Energies for Diatomic Molecules Containing 3d Transition Metals: Benchmark Scalar-Relativistic Coupled-Cluster Calculations for 20 Molecules.

scientific article published on 12 January 2017

Characterization of the [18.28]0--a3Δ1 (0,0) band of tantalum nitride, TaN.

scientific article

Coupled-cluster techniques for computational chemistry: The CFOUR program package

scientific article published on 01 June 2020

Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals

scientific article published on 01 February 2019

Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb<sub>2</sub><sup>+</sup>

scientific article published in 2021

Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations

scientific article published in June 2017

Performance of Delta-Coupled-Cluster Methods for Calculations of Core-Ionization Energies of First-Row Elements

scientific article published on 14 August 2019

Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods.

scientific article published in January 2018

Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version

scientific article published on 21 March 2022

The electric dipole moments in the ground states of gold oxide, AuO, and gold sulfide, AuS.

scientific article published in February 2017

Towards accurate prediction for laser-coolable molecules: relativistic coupled-cluster calculations for yttrium monoxide and prospects for improving its laser cooling efficiencies

scientific article published on 14 November 2020

Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals