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The Journal of Chemical Physics
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February 24, 2019
Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
Ayush Asthana, Junzi Liu, Lan Cheng
The Journal of Chemical Physics
|
January 22, 2018
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
Junzi Liu, Yue Shen, Ayush Asthana, et al.
The Journal of Chemical Physics
|
July 2, 2018
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
Junzi Liu, Ayush Asthana, Lan Cheng, et al.
The Journal of Chemical Physics
|
February 16, 2021
Analytic evaluation of energy first derivatives for spin-orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
Junzi Liu, Xuechen Zheng, Ayush Asthana, et al.
The Journal of Chemical Physics
|
December 28, 2023
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
Chaoqun Zhang, Xuechen Zheng, Junzi Liu, et al.
Journal of Chemical Theory and Computation
|
March 10, 2026
Generalized Eigenvalue Problem in Subspace-Based Excited-State Methods for Quantum Computers
Prince Frederick Kwao, Srivathsan Poyyapakkam Sundar, Brajesh Gupt, et al.
The Journal of Physical Chemistry. A
|
July 24, 2020
Mapping the Electronic Structure of the Uranium(VI) Dinitride Molecule, UN<sub>2</sub>
Gaoxiang Liu, Chaoqun Zhang, Sandra M Ciborowski, et al.
Journal of Chemical Theory and Computation
|
August 19, 2022
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
Ashutosh Kumar, Ayush Asthana, Conner Masteran, et al.
Journal of Chemical Theory and Computation
|
December 6, 2023
Quantum Simulation of Molecular Response Properties in the NISQ Era
Ashutosh Kumar, Ayush Asthana, Vibin Abraham, et al.
Chemical Science
|
March 6, 2023
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 24, 2019
Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
Ayush Asthana, Junzi Liu, Lan Cheng
The Journal of Chemical Physics
|
January 22, 2018
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
Junzi Liu, Yue Shen, Ayush Asthana, et al.
The Journal of Chemical Physics
|
July 2, 2018
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
Junzi Liu, Ayush Asthana, Lan Cheng, et al.
The Journal of Chemical Physics
|
February 16, 2021
Analytic evaluation of energy first derivatives for spin-orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
Junzi Liu, Xuechen Zheng, Ayush Asthana, et al.
The Journal of Chemical Physics
|
December 28, 2023
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
Chaoqun Zhang, Xuechen Zheng, Junzi Liu, et al.
Journal of Chemical Theory and Computation
|
March 10, 2026
Generalized Eigenvalue Problem in Subspace-Based Excited-State Methods for Quantum Computers
Prince Frederick Kwao, Srivathsan Poyyapakkam Sundar, Brajesh Gupt, et al.
The Journal of Physical Chemistry. A
|
July 24, 2020
Mapping the Electronic Structure of the Uranium(VI) Dinitride Molecule, UN<sub>2</sub>
Gaoxiang Liu, Chaoqun Zhang, Sandra M Ciborowski, et al.
Journal of Chemical Theory and Computation
|
August 19, 2022
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
Ashutosh Kumar, Ayush Asthana, Conner Masteran, et al.
Journal of Chemical Theory and Computation
|
December 6, 2023
Quantum Simulation of Molecular Response Properties in the NISQ Era
Ashutosh Kumar, Ayush Asthana, Vibin Abraham, et al.
Chemical Science
|
March 6, 2023
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham, et al.
Page
of 1