Jorgensen P - Search Results

1

Coupled-cluster theory in a projected atomic orbital basis.

Christiansen O, Manninen P, Jorgensen P, Olsen J. Christiansen O, et al. Among authors: jorgensen p. J Chem Phys. 2006 Feb 28;124(8):084103. doi: 10.1063/1.2173249. J Chem Phys. 2006. PMID: 16512704

2

The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theories.

Thøgersen L, Olsen J, Yeager D, Jørgensen P, Sałek P, Helgaker T. Thøgersen L, et al. Among authors: jorgensen p. J Chem Phys. 2004 Jul 1;121(1):16-27. doi: 10.1063/1.1755673. J Chem Phys. 2004. PMID: 15260518

3

Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO.

Ruden TA, Helgaker T, Jørgensen P, Olsen J. Ruden TA, et al. Among authors: jorgensen p. J Chem Phys. 2004 Sep 22;121(12):5874-84. doi: 10.1063/1.1780155. J Chem Phys. 2004. PMID: 15367015

4

Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3.

Høst S, Jorgensen P, Köhn A, Pawłowski F, Klopper W, Hättig C. Høst S, et al. Among authors: jorgensen p. J Chem Phys. 2005 Sep 1;123(9):94303. doi: 10.1063/1.2008211. J Chem Phys. 2005. PMID: 16164341

5

The trust-region self-consistent field method in Kohn-Sham density-functional theory.

Thøgersen L, Olsen J, Köhn A, Jørgensen P, Sałek P, Helgaker T. Thøgersen L, et al. Among authors: jorgensen p. J Chem Phys. 2005 Aug 15;123(7):074103. doi: 10.1063/1.1989311. J Chem Phys. 2005. PMID: 16229555

6

Quadratic response functions in a second-order polarization propagator framework.

Olsen J, Jørgensen P, Helgaker T, Oddershede J. Olsen J, et al. Among authors: jorgensen p. J Phys Chem A. 2005 Dec 22;109(50):11618-28. doi: 10.1021/jp054207w. J Phys Chem A. 2005. PMID: 16354055

7

Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory.

Paterson MJ, Christiansen O, Pawłowski F, Jorgensen P, Hättig C, Helgaker T, Sałek P. Paterson MJ, et al. Among authors: jorgensen p. J Chem Phys. 2006 Feb 7;124(5):054322. doi: 10.1063/1.2163874. J Chem Phys. 2006. PMID: 16468884 Free article.

8

Linear-scaling implementation of molecular electronic self-consistent field theory.

Sałek P, Høst S, Thøgersen L, Jørgensen P, Manninen P, Olsen J, Jansík B, Reine S, Pawłowski F, Tellgren E, Helgaker T, Coriani S. Sałek P, et al. Among authors: jorgensen p. J Chem Phys. 2007 Mar 21;126(11):114110. doi: 10.1063/1.2464111. J Chem Phys. 2007. PMID: 17381199

9

Linear-scaling symmetric square-root decomposition of the overlap matrix.

Jansík B, Host S, Jorgensen P, Olsen J, Helgaker T. Jansík B, et al. Among authors: jorgensen p. J Chem Phys. 2007 Mar 28;126(12):124104. doi: 10.1063/1.2709881. J Chem Phys. 2007. PMID: 17411105

10

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

Coriani S, Høst S, Jansík B, Thøgersen L, Olsen J, Jørgensen P, Reine S, Pawłowski F, Helgaker T, Sałek P. Coriani S, et al. Among authors: jorgensen p. J Chem Phys. 2007 Apr 21;126(15):154108. doi: 10.1063/1.2715568. J Chem Phys. 2007. PMID: 17461615

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