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The Journal of Chemical Physics
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August 17, 2015
Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods
Lan Cheng
The Journal of Chemical Physics
|
September 16, 2019
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 compounds
Lan Cheng
Journal of Chemical Theory and Computation
|
October 7, 2022
Route to Chemical Accuracy for Computational Uranium Thermochemistry
Chaoqun Zhang, Lan Cheng
Journal of Chemical Theory and Computation
|
August 1, 2019
Performance of Delta-Coupled-Cluster Methods for Calculations of Core-Ionization Energies of First-Row Elements
Xuechen Zheng, Lan Cheng
The Journal of Physical Chemistry. A
|
June 28, 2022
Atomic Mean-Field Approach within Exact Two-Component Theory Based on the Dirac-Coulomb-Breit Hamiltonian
Chaoqun Zhang, Lan Cheng
The Journal of Chemical Physics
|
July 5, 2011
Analytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
January 10, 2012
Analytic second derivatives for the spin-free exact two-component theory
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
November 3, 2014
Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
November 7, 2021
Unitary coupled-cluster based self-consistent polarization propagator theory: A quadratic unitary coupled-cluster singles and doubles scheme
Junzi Liu, Lan Cheng
The Journal of Chemical Physics
|
September 8, 2011
Analytic energy gradients for the spin-free exact two-component theory using an exact block diagonalization for the one-electron Dirac Hamiltonian
Lan Cheng, Jürgen Gauss
Page
of 49
Search research articles
Search
Showing results (1-10 of 488) with videos related to
Sort By:
Page
of 49
The Journal of Chemical Physics
|
August 17, 2015
Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods
Lan Cheng
The Journal of Chemical Physics
|
September 16, 2019
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 compounds
Lan Cheng
Journal of Chemical Theory and Computation
|
October 7, 2022
Route to Chemical Accuracy for Computational Uranium Thermochemistry
Chaoqun Zhang, Lan Cheng
Journal of Chemical Theory and Computation
|
August 1, 2019
Performance of Delta-Coupled-Cluster Methods for Calculations of Core-Ionization Energies of First-Row Elements
Xuechen Zheng, Lan Cheng
The Journal of Physical Chemistry. A
|
June 28, 2022
Atomic Mean-Field Approach within Exact Two-Component Theory Based on the Dirac-Coulomb-Breit Hamiltonian
Chaoqun Zhang, Lan Cheng
The Journal of Chemical Physics
|
July 5, 2011
Analytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
January 10, 2012
Analytic second derivatives for the spin-free exact two-component theory
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
November 3, 2014
Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory
Lan Cheng, Jürgen Gauss
The Journal of Chemical Physics
|
November 7, 2021
Unitary coupled-cluster based self-consistent polarization propagator theory: A quadratic unitary coupled-cluster singles and doubles scheme
Junzi Liu, Lan Cheng
The Journal of Chemical Physics
|
September 8, 2011
Analytic energy gradients for the spin-free exact two-component theory using an exact block diagonalization for the one-electron Dirac Hamiltonian
Lan Cheng, Jürgen Gauss
Page
of 49