Scuseria GE - Search Results

1

The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques.

Izmaylov AF, Staroverov VN, Scuseria GE, Davidson ER, Stoltz G, Cancès E. Izmaylov AF, et al. Among authors: scuseria ge. J Chem Phys. 2007 Feb 28;126(8):084107. doi: 10.1063/1.2434784. J Chem Phys. 2007. PMID: 17343440

2

Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids.

Tao J, Perdew JP, Staroverov VN, Scuseria GE. Tao J, et al. Among authors: scuseria ge. Phys Rev Lett. 2003 Oct 3;91(14):146401. doi: 10.1103/PhysRevLett.91.146401. Epub 2003 Sep 30. Phys Rev Lett. 2003. PMID: 14611541

3

Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional.

Heyd J, Scuseria GE. Heyd J, et al. Among authors: scuseria ge. J Chem Phys. 2004 Jul 15;121(3):1187-92. doi: 10.1063/1.1760074. J Chem Phys. 2004. PMID: 15260659

4

Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects.

Peralta JE, Scuseria GE. Peralta JE, et al. Among authors: scuseria ge. J Chem Phys. 2004 Apr 1;120(13):5875-81. doi: 10.1063/1.1650309. J Chem Phys. 2004. PMID: 15267469

5

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

Perdew JP, Tao J, Staroverov VN, Scuseria GE. Perdew JP, et al. Among authors: scuseria ge. J Chem Phys. 2004 Apr 15;120(15):6898-911. doi: 10.1063/1.1665298. J Chem Phys. 2004. PMID: 15267588

6

Interaction of atomic hydrogen with single-walled carbon nanotubes: a density functional theory study.

Barone V, Heyd J, Scuseria GE. Barone V, et al. Among authors: scuseria ge. J Chem Phys. 2004 Apr 15;120(15):7169-73. doi: 10.1063/1.1668635. J Chem Phys. 2004. PMID: 15267624

7

Assessment and validation of a screened Coulomb hybrid density functional.

Heyd J, Scuseria GE. Heyd J, et al. Among authors: scuseria ge. J Chem Phys. 2004 Apr 22;120(16):7274-80. doi: 10.1063/1.1668634. J Chem Phys. 2004. PMID: 15267636

8

Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional.

Maximoff SN, Ernzerhof M, Scuseria GE. Maximoff SN, et al. Among authors: scuseria ge. J Chem Phys. 2004 Feb 1;120(5):2105-9. doi: 10.1063/1.1634553. J Chem Phys. 2004. PMID: 15268348

9

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems.

Yazyev OV, Brothers EN, Kudin KN, Scuseria GE. Yazyev OV, et al. Among authors: scuseria ge. J Chem Phys. 2004 Aug 8;121(6):2466-70. doi: 10.1063/1.1768165. J Chem Phys. 2004. PMID: 15281843

10

Laplace-transformed diagonal Dyson correction to quasiparticle energies in periodic systems.

Pino R, Scuseria GE. Pino R, et al. Among authors: scuseria ge. J Chem Phys. 2004 Aug 8;121(6):2553-7. doi: 10.1063/1.1769361. J Chem Phys. 2004. PMID: 15281852

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