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List of works by Fan Wang

Analytical energy gradients for ionized states using equation-of-motion coupled-cluster theory with spin-orbit coupling

scientific article published on 01 April 2019

Approximate equation-of-motion coupled-cluster methods for electron affinities of closed-shell molecules

scientific article published on 01 March 2020

BDF: A relativistic electronic structure program package

scientific article published on 01 February 2020

Equation-of-motion coupled-cluster theory for double electron attachment with spin-orbit coupling

scientific article published on 01 December 2020

Intermediate Hamiltonian Fock-space coupled-cluster theory for excitation energies, double ionization potentials, and double electron attachments with spin–orbit coupling

scientific article published in 2022

Low-lying states of MX2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin-orbit coupling

scientific article published on 16 November 2020

Performance of the Diffusion Quantum Monte Carlo Method with a Single-Slater-Jastrow Trial Wavefunction Using Natural Orbitals and Density Functional Theory Orbitals on Atomization Energies of the Gaussian-2 Set

scientific article published on 17 April 2019

Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units

scientific article published on 29 October 2020

Singlet-triplet gaps in diradicals obtained with diffusion quantum Monte Carlo using a Slater-Jastrow trial wavefunction with a minimum number of determinants

scientific article published on 01 September 2019

Splittings of d8 configurations of late-transition metals with EOM-DIP-CCSD and FSCCSD methods

scientific article published on 01 April 2020

Theoretical Study on Reactions of Alkylperoxy Radicals

scientific article published on 24 April 2019

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