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Journal Articles

Accurate lattice geometrical parameters and bulk moduli from a semilocal density functional

Yuxiang Mo, Hong Tang, Arun Bansil, Jianmin Tao

AIP Advances 8, 095209 (2018)

https://doi.org/10.1063/1.5050241

Published: September 2018

View articletitled, Accurate lattice geometrical parameters and bulk moduli from a semilocal density functional

Journal Articles

Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures

Jianmin Tao, John P. Perdew, Hong Tang, Chandra Shahi

J. Chem. Phys. 148, 074110 (2018)

https://doi.org/10.1063/1.5018572

Published: February 2018

View articletitled, Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures

Includes: Supplementary data

Journal Articles

Accurate excitation energies of molecules and oligomers from a semilocal density functional

Guocai Tian, Yuxiang Mo, Jianmin Tao

J. Chem. Phys. 146, 234102 (2017)

https://doi.org/10.1063/1.4984062

Published: June 2017

View articletitled, Accurate excitation energies of molecules and oligomers from a semilocal density functional

Includes: Supplementary data

Journal Articles

Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes

Yuxiang Mo, Guocai Tian, Roberto Car, Viktor N. Staroverov, Gustavo E. Scuseria, Jianmin Tao

J. Chem. Phys. 145, 234306 (2016)

https://doi.org/10.1063/1.4971853

Published: December 2016

View articletitled, Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes

Includes: Supplementary data

Journal Articles

Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability

Jianmin Tao, Andrew M. Rappe

J. Chem. Phys. 144, 031102 (2016)

https://doi.org/10.1063/1.4940397

Published: January 2016

View articletitled, Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability

Includes: Supplementary data

Journal Articles

Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes

Jianmin Tao, Jing Yang, Andrew M. Rappe

J. Chem. Phys. 142, 164302 (2015)

https://doi.org/10.1063/1.4918761

Published: April 2015

View articletitled, Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes

Journal Articles

Van der Waals coefficients beyond the classical shell model

Jianmin Tao, Yuan Fang, Pan Hao, G. E. Scuseria, Adrienn Ruzsinszky, John P. Perdew

J. Chem. Phys. 142, 024312 (2015)

https://doi.org/10.1063/1.4905259

Published: January 2015

View articletitled, Van der Waals coefficients beyond the classical shell model

Includes: Supplementary data

Journal Articles

Communication: Non-additivity of van der Waals interactions between nanostructures

Jianmin Tao, John P. Perdew

J. Chem. Phys. 141, 141101 (2014)

https://doi.org/10.1063/1.4897957

Published: October 2014

View articletitled, Communication: Non-additivity of van der Waals interactions between nanostructures

Includes: Supplementary data

Journal Articles

Performance of a nonempirical meta–generalized gradient approximation density functional for excitation energies

Jianmin Tao, Sergei Tretiak, Jian-Xin Zhu

J. Chem. Phys. 128, 084110 (2008)

https://doi.org/10.1063/1.2837831

Published: February 2008

View articletitled, Performance of a nonempirical meta–generalized gradient approximation density functional for excitation energies

Journal Articles

Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

John P. Perdew, Adrienn Ruzsinszky, Jianmin Tao, Viktor N. Staroverov, Gustavo E. Scuseria, Gábor I. Csonka

J. Chem. Phys. 123, 062201 (2005)

https://doi.org/10.1063/1.1904565

Published: August 2005

View articletitled, Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

Journal Articles

Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers

Jianmin Tao, John P. Perdew

J. Chem. Phys. 122, 114102 (2005)

https://doi.org/10.1063/1.1862242

Published: March 2005

View articletitled, Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers

Journal Articles

Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119 , 12129 (2003)]

Viktor N. Staroverov, Gustavo E. Scuseria, Jianmin Tao, John P. Perdew

J. Chem. Phys. 121, 11507 (2004)

https://doi.org/10.1063/1.1795692

Published: December 2004

View articletitled, Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119 , 12129 (2003)]

Journal Articles

Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional

John P. Perdew, Jianmin Tao, Viktor N. Staroverov, Gustavo E. Scuseria

J. Chem. Phys. 120, 6898–6911 (2004)

https://doi.org/10.1063/1.1665298

Published: April 2004

View articletitled, Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional

Journal Articles

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

Viktor N. Staroverov, Gustavo E. Scuseria, Jianmin Tao, John P. Perdew

J. Chem. Phys. 119, 12129–12137 (2003)

https://doi.org/10.1063/1.1626543

Published: December 2003

View articletitled, Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

Includes: Supplementary data

Journal Articles

Properties of the exchange hole under an appropriate coordinate transformation

Jianmin Tao, Michael Springborg, John P. Perdew

J. Chem. Phys. 119, 6457–6464 (2003)

https://doi.org/10.1063/1.1604377

Published: October 2003

View articletitled, Properties of the exchange hole under an appropriate coordinate transformation

Journal Articles

Erratum: “An accurate MGGA-based hybrid exchange-correlation functional” [J. Chem. Phys. 116 , 2335 (2002)]

Jianmin Tao

J. Chem. Phys. 116, 10557 (2002)

https://doi.org/10.1063/1.1479350

Published: June 2002

View articletitled, Erratum: “An accurate MGGA-based hybrid exchange-correlation functional” [J. Chem. Phys. 116 , 2335 (2002)]

Journal Articles

An accurate MGGA-based hybrid exchange-correlation functional

Jianmin Tao

J. Chem. Phys. 116, 2335–2337 (2002)

https://doi.org/10.1063/1.1447882

Published: February 2002

View articletitled, An accurate MGGA-based hybrid exchange-correlation functional

Journal Articles

Exchange energy density of an atom as a functional of the electron density

Jianmin Tao

J. Chem. Phys. 115, 3519–3530 (2001)

https://doi.org/10.1063/1.1388047

Published: August 2001

View articletitled, Exchange energy density of an atom as a functional of the electron density

Journal Articles

Bounds to information entropies for atomic systems

Jianmin Tao, Guobao Li, Jianmin Li

J. Chem. Phys. 107, 1227–1231 (1997)

https://doi.org/10.1063/1.474467

Published: July 1997

View articletitled, Bounds to information entropies for atomic systems

Journal Articles

Bounds for the zeroth‐order exchange‐energy functional for atomic systems

Jianmin Tao, Guobao Li

J. Chem. Phys. 105, 10493–10495 (1996)

https://doi.org/10.1063/1.472929

Published: December 1996

View articletitled, Bounds for the zeroth‐order exchange‐energy functional for atomic systems

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Accurate lattice geometrical parameters and bulk moduli from a semilocal density functional

Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures

Accurate excitation energies of molecules and oligomers from a semilocal density functional

Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes

Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability

Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes

Van der Waals coefficients beyond the classical shell model

Communication: Non-additivity of van der Waals interactions between nanostructures

Performance of a nonempirical meta–generalized gradient approximation density functional for excitation energies

Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers

Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119 , 12129 (2003)]

Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

Properties of the exchange hole under an appropriate coordinate transformation

Erratum: “An accurate MGGA-based hybrid exchange-correlation functional” [J. Chem. Phys. 116 , 2335 (2002)]

An accurate MGGA-based hybrid exchange-correlation functional

Exchange energy density of an atom as a functional of the electron density

Bounds to information entropies for atomic systems

Bounds for the zeroth‐order exchange‐energy functional for atomic systems

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