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Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations

The Journal of chemical physics, 2023-12, Vol.159 (24)

2023

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

The Journal of chemical physics, 2022-03, Vol.156 (11), p.114111-114111

2022

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

The Journal of chemical physics, 2020-12, Vol.153 (21), p.214118-214118

2020

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Diffusion Monte Carlo method on small boron clusters using single- and multi- determinant–Jastrow trial wavefunctions

The Journal of chemical physics, 2021-01, Vol.154 (2), p.024301-024301

2021

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

The Journal of chemical physics, 2020-03, Vol.152 (12), p.124111-124111

2020

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

The Journal of chemical physics, 2020-04, Vol.152 (13), p.134105-134105

2020

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Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling

The Journal of chemical physics, 2018-01, Vol.148 (4), p.044304-044304

2018

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Influence of magnetic ordering and Jahn-Teller distortion on the lithiation process of LiMn2O4

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (9), p.6481-6486

2017

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Measuring the continuing care needs of inpatients in rural China

BMC health services research, 2024-03, Vol.24 (1), p.308-308, Article 308

2024

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Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

The Journal of chemical physics, 2015-04, Vol.142 (14), p.144109-144109

2015

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Equation-of-motion/Linear-response Coupled Cluster Methods with an Approximate Treatment on Triples for Singly-excited States with Pronounced Double Excitation Character

Chemical research in Chinese universities, 2023-12, Vol.39 (6), p.998-1004

2023

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The role of arbuscular mycorrhizal symbiosis in plant abiotic stress

Frontiers in microbiology, 2023, Vol.14, p.1323881-1323881

2023

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Dirhodium(II)-catalyzed [3 + 2] cycloaddition of N -arylaminocyclopropane with alkyne derivatives

Beilstein journal of organic chemistry, 2019-02, Vol.15 (1), p.542-550

2019

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Spin―orbit coupling and electron correlation at various coupled-cluster levels for closed-shell diatomic molecules

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (41), p.17922-17928

2013

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Impact of global budget combined with pay-for-performance on the quality of care in county hospitals: a difference-in-differences study design with a propaensity-score-matched control group using data from Guizhou province, China

BMC health services research, 2021-12, Vol.21 (1), p.1296-1296

2021

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Matrix-Assisted 1H DOSY Applied to Flavonoid Analysis in Scutellaria baicalensis

Separations, 2022-11, Vol.9 (12), p.388

2022

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

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (43), p.2513-25111

2020

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Triple Electron Attachments with a New Intermediate-Hamiltonian Fock-Space Coupled-Cluster Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-09, Vol.128 (38), p.8279-8291

2024

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Equation-of-motion coupled-cluster method for ionised states with spin-orbit coupling using open-shell reference wavefunction

Molecular physics, 2018-04, Vol.116 (7-8), p.935-943

2018

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Rhodium(II)‐Catalyzed C(sp3)−H Diamination of Arylcyclobutanes

Angewandte Chemie International Edition, 2022-07, Vol.61 (30), p.e202205493-n/a

International ed. in English, 2022

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Stationary Points on Potential Energy Surface of Cyclic C3H3 with Coupled-Cluster Approaches and Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (19), p.4079-4088

2021

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Stationary Points on Potential Energy Surface of Cyclic C 3 H 3 with Coupled-Cluster Approaches and Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (19), p.4079-4088

2021

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Diffusion quantum Monte Carlo study on magnesium clusters as large as nanoparticles

The Journal of chemical physics, 2023-12, Vol.159 (22)

2023

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Treating spin-orbit coupling at different levels in equation-of-motion coupled-cluster calculations

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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Chemical kinetic study of the low temperature oxidation of Alkanes with a new scheme

Fuel (Guildford), 2023-11, Vol.351, p.128869, Article 128869

2023

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Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations

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

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

Diffusion Monte Carlo method on small boron clusters using single- and multi- determinant–Jastrow trial wavefunctions

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

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

Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling

Influence of magnetic ordering and Jahn-Teller distortion on the lithiation process of LiMn2O4

Measuring the continuing care needs of inpatients in rural China

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

Equation-of-motion/Linear-response Coupled Cluster Methods with an Approximate Treatment on Triples for Singly-excited States with Pronounced Double Excitation Character

The role of arbuscular mycorrhizal symbiosis in plant abiotic stress

Dirhodium(II)-catalyzed [3 + 2] cycloaddition of N -arylaminocyclopropane with alkyne derivatives

Spin―orbit coupling and electron correlation at various coupled-cluster levels for closed-shell diatomic molecules

Impact of global budget combined with pay-for-performance on the quality of care in county hospitals: a difference-in-differences study design with a propaensity-score-matched control group using data from Guizhou province, China

Matrix-Assisted 1H DOSY Applied to Flavonoid Analysis in Scutellaria baicalensis

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

Triple Electron Attachments with a New Intermediate-Hamiltonian Fock-Space Coupled-Cluster Method

Equation-of-motion coupled-cluster method for ionised states with spin-orbit coupling using open-shell reference wavefunction

Rhodium(II)‐Catalyzed C(sp3)−H Diamination of Arylcyclobutanes

Stationary Points on Potential Energy Surface of Cyclic C3H3 with Coupled-Cluster Approaches and Density Functional Theory

Stationary Points on Potential Energy Surface of Cyclic C 3 H 3 with Coupled-Cluster Approaches and Density Functional Theory

Diffusion quantum Monte Carlo study on magnesium clusters as large as nanoparticles

Treating spin-orbit coupling at different levels in equation-of-motion coupled-cluster calculations

Chemical kinetic study of the low temperature oxidation of Alkanes with a new scheme

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