List of works - Jun Yang

Complete OSV-MP2 Analytical Gradient Theory for Molecular Structure and Dynamics Simulations

scientific article published on 20 December 2019

Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6

scientific article published on 21 February 2007

Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental scheme

scientific article published on 01 August 2007

First-principles electronic structure study of the monoclinic crystal bismuth triborate BiB3O6

scientific article published on 01 October 2006

Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets

scientific article published on 01 August 2009

Kinetically Controlled Self-Assembly of Phosphorescent AuIII Aggregates and Ligand-to-Metal-Metal Charge Transfer Excited State: A Combined Spectroscopic and DFT/TDDFT Study

scientific article published on 15 July 2019

Nucleus–electron correlation revising molecular bonding fingerprints from the exact wavefunction factorization

scientific article published in 2021

Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory

scientific article published on 01 March 2012

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Red Phosphorus: An Elementary Semiconductor for Room-Temperature NO2 Gas Sensing

scientific article published on 03 December 2018

Strong metal-metal Pauli repulsion leads to repulsive metallophilicity in closed-shell d<sup>8</sup> and d<sup>10</sup> organometallic complexes

scientific article published on 01 January 2021

Tensor factorizations of local second-order Møller-Plesset theory

scientific article published on 01 January 2011

The ab-initio density matrix renormalization group in practice

scientific article published on 01 January 2015

The orbital-specific virtual local triples correction: OSV-L(T).

scientific article published in February 2013

The orbital-specific-virtual local coupled cluster singles and doubles method

scientific article published in April 2012

Theoretical chemistry. Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy

scientific article

Third-Order Many-Body Expansion of OSV-MP2 Wave Function for Low-Order Scaling Analytical Gradient Computation

scientific article published on 27 October 2021

List of works by Jun Yang