4 citations · 4 across the 4 of their papers we have counts for
8 papers
Putting PASPT2 on a Firmer Basis
Chunzhang Liu, Ning Zhang, Wenjian Liu
The recently proposed partial-active-space (PAS) multi-state second-order perturbation theory (PASPT2) [Precis. Chem. 4, 997 (2026)] features connected amplitudes and a connected,…
cQED-iCIPT2: A Near-Exact Method for Polaritonic Chemistry
Ning Zhang, Wenjian Liu
Strong light-matter coupling in optical cavities provides a versatile platform for modulating chemical structure, reactivity, and spectroscopy, and hence motivates the development…
PASPT2: a size-extensive and size-consistent partial-active-space multi-state multi-reference second-order perturbation theory for strongly correlated electrons
Chunzhang Liu, Ning Zhang, Wenjian Liu
A partial-active-space (PAS) multi-state (MS) multi-reference second-order perturbation theory (MRPT2) for the electronic structure of strongly correlated systems of electrons, dub…
Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase
Qingpeng Wang, Ning Zhang, Wenjian Liu
The integration of quantum chemical methods with high-performance computing is indispensable for handling large systems with modest accuracy or even small systems but with high acc…
MetaWave: A Platform for Unified Implementation of Nonrelativistic and Relativistic Wavefunctions
Ning Zhang, Qingpeng Wang, Wenjian Liu
\texttt{MetaWave} is a C++ template-based architecture designed for unified implementation of nonrelativistic and relativistic wavefunction-based quantum chemical methods. It is hi…
SDSPT2s: SDSPT2 with Selection
Yibo Lei, Yang Guo, Bingbing Suo +1
As an approximation to SDSCI [static-dynamic-static (SDS) configuration interaction (CI), a minimal MRCI; Theor. Chem. Acc. 133, 1481 (2014)], SDSPT2 [Mol. Phys. 115, 2696 (2017)]…