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Journal of Chemical Theory and Computation
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November 27, 2015
Tightened Lieb-Oxford Bound for Systems of Fixed Particle Number
Mariana M Odashima, K Capelle, S B Trickey
The Journal of Physical Chemistry. A
|
July 12, 2024
Reworking the Tao-Mo Exchange-Correlation Functional. III. Improved Deorbitalization Strategy and Faithful Deorbitalization
H Francisco, A C Cancio, S B Trickey
The Journal of Chemical Physics
|
December 1, 2023
Reworking the Tao-Mo exchange-correlation functional. I. Reconsideration and simplification
H Francisco, A C Cancio, S B Trickey
The Journal of Chemical Physics
|
December 1, 2023
Reworking the Tao-Mo exchange-correlation functional. II. De-orbitalization
H Francisco, A C Cancio, S B Trickey
The Journal of Physical Chemistry. A
|
October 27, 2025
Removing Orbital-Dependence to Improve Exchange-Correlation Functional Accuracy
H Francisco, Antonio C Cancio, S B Trickey
Physical Review Letters
|
March 16, 2018
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
Valentin V Karasiev, James W Dufty, S B Trickey
The Journal of Physical Chemistry. A
|
September 5, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-<i>U</i> Correction
Angel Albavera-Mata, Richard G Hennig, S B Trickey
Chemical Reviews
|
October 23, 2023
Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations
Wenhui Mi, Kai Luo, S B Trickey, et al.
The Journal of Physical Chemistry Letters
|
December 21, 2022
Mean Value Ensemble Hubbard-<i>U</i> Correction for Spin-Crossover Molecules
Angel Albavera-Mata, S B Trickey, Richard G Hennig
Physical Review Letters
|
March 4, 2014
Accurate homogeneous electron gas exchange-correlation free energy for local spin-density calculations
Valentin V Karasiev, Travis Sjostrom, James Dufty, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 35) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
November 27, 2015
Tightened Lieb-Oxford Bound for Systems of Fixed Particle Number
Mariana M Odashima, K Capelle, S B Trickey
The Journal of Physical Chemistry. A
|
July 12, 2024
Reworking the Tao-Mo Exchange-Correlation Functional. III. Improved Deorbitalization Strategy and Faithful Deorbitalization
H Francisco, A C Cancio, S B Trickey
The Journal of Chemical Physics
|
December 1, 2023
Reworking the Tao-Mo exchange-correlation functional. I. Reconsideration and simplification
H Francisco, A C Cancio, S B Trickey
The Journal of Chemical Physics
|
December 1, 2023
Reworking the Tao-Mo exchange-correlation functional. II. De-orbitalization
H Francisco, A C Cancio, S B Trickey
The Journal of Physical Chemistry. A
|
October 27, 2025
Removing Orbital-Dependence to Improve Exchange-Correlation Functional Accuracy
H Francisco, Antonio C Cancio, S B Trickey
Physical Review Letters
|
March 16, 2018
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
Valentin V Karasiev, James W Dufty, S B Trickey
The Journal of Physical Chemistry. A
|
September 5, 2023
Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard-<i>U</i> Correction
Angel Albavera-Mata, Richard G Hennig, S B Trickey
Chemical Reviews
|
October 23, 2023
Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations
Wenhui Mi, Kai Luo, S B Trickey, et al.
The Journal of Physical Chemistry Letters
|
December 21, 2022
Mean Value Ensemble Hubbard-<i>U</i> Correction for Spin-Crossover Molecules
Angel Albavera-Mata, S B Trickey, Richard G Hennig
Physical Review Letters
|
March 4, 2014
Accurate homogeneous electron gas exchange-correlation free energy for local spin-density calculations
Valentin V Karasiev, Travis Sjostrom, James Dufty, et al.
Page
of 4