Search for author: P. Jørgensen

Found: 21 entries.

Articles sorted by year. Sort by title.
Click on the publication title to get more information about it.

1.

A linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory S. Coriani, S. Høst, B. Jansik, L. Thøgersen, J. Olsen, P. Jørgensen, S. Reine, F. Pawlowski, T. Helgaker and P. Sałek. J. Chem. Phys. 126, 154108 (2007)

---

2.

Benchmarking Two-Photon Absorption With CC3 Quadratic Response Theory, and Comparison With Density Functional Response Theory M. J. Paterson, O. Christiansen, F. Pawlowski, P. Jørgensen, C. Hättig, T. Helgaker and P. Sałek. J. Chem. Phys, 124, 054322 (2006)

---

3.

Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories. S. Høst, J. Olsen, B. Jansik, P. Jørgensen, S. Reine, T. Helgaker, P. Sałek and S. Coriani Lecture Series on Computer and Computational Sciences, Vol 1. 2006. Attached: mau3.pdf

---

4.

The trust-region self-consistent field method in Kohn-­Sham density-functional theory L. Thøgersen, J. Olsen, A. Köhn, P. Jørgensen, P. Sałek and T. Helgaker J. Chem. Phys. 123, 074103 (2005)

---

5.

The trust-region self-consistent field method: Towards a black-box optimization in Hartree--Fock and Kohn--Sham theories. L. Thøgersen, J. Olsen, D. Yeager, P. Jørgensen and P. Sałek and T. Helgaker J. of Chem. Phys. 121, 16 (2004)

---

6.

Random-phase calculations of frequency dependent polarizabilities and hyperpolarizabilities of long polyene chains Y. Luo, H. Ågren, H. Koch, P. Jørgensen and T. Helgaker Phys. Rev. B \bf 51, 14949 (1995)

---

7.

Response theory and calculations of molecular hyperpolarizabilities Y. Luo, H. Ågren, K. Mikkelsen and P. Jørgensen Adv. Quant. Chem. \bf 26, 165 (1995)

---

8.

Sign change of the hyperpolarizabilities of solvated water K. V. Mikkelsen, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 102, 9362 (1995)

---

9.

The Vegard-Kaplan band and the phosphorescent decay of N2. J. Olsen, B.F. Minaev, O. Vahtras, H. Ågren, P. Jørgensen, H.J. Aa. Jensen and T. Helgaker Chem. Phys. Letters 231, 387 (1995).

---

10.

Solvent induced polarizabilities and hyperpolarizabilities of para-nitroaniline K. V. Mikkelsen, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 100, 8240 (1994)

---

11.

Dipole hyperpolarizability surfaces of ammonia V. Spirko, Y. Luo, H. Ågren and P. Jørgensen J. Chem. Phys. \bf 99, 7331 (1993)

---

12.

Direct atomic-orbital-based self-consistent-field calculations of non-linear molecular properties. Application to frequency dependent hyperpolarizabilities of para-nitroanaline H. Ågren, O. Vahtras, H. Koch, T. Helgaker and P. Jørgensen J. Chem. Phys. \bf 98, 6417 (1993)

---

13.

Frequency dependent polarizabilities and first hyperpolarizabilities of H2O Y. Luo, H. Ågren, O. Vahtras, P. Jørgensen, V. Spirko and H. Hettema J. Chem. Phys. \bf 98, 7159 (1993)

---

14.

Frequency dependent polarizabilities and second hyperpolarizabilities of N2 Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Lett. \bf 205, 555 (1993)

---

15.

Large scale random phase calculations for direct self-consistent field wave functions H. Koch, H. Ågren, T. Helgaker, P. Jørgensen and H.J. Aa. Jensen Chem. Phys. \bf 172, 13 (1993)

---

16.

Multi-configuration linear response approaches to photoionization cross sections. H. Ågren, V. Carravetta, H.J. Aa. Jensen, P. Jørgensen and J. Olsen Phys. Rev. A, 47, 3810 (1993)

---

17.

Multi-configuration quadratic response calculations of two-photon electronic transition probabilities of H2O Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Letters \bf 204, 587 (1993)

---

18.

The hyperpolarizability dispersion of para-nitroaniline Y. Luo, H. Ågren, O. Vahtras and P. Jørgensen Chem. Phys. Letters \bf 207, 190 (1993)

---

19.

The two-photon spectrum of pyrimidine. Role of vibronic coupling Y. Luo, H. Ågren, S. Knuts and P. Jørgensen Chem. Phys. Letters \bf 213, 356 (1993)

---

20.

Spin-orbit coupling constants in a multiconfiguration linear response approach O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa. Jensen, T. Helgaker and J. Olsen J. Chem. Phys. 96, 2118 (1992)

---

21.

The second-order energy contribution from the spin-orbit interaction operator to the potential energy curve of Cr2 O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa. Jensen and T. Helgaker Int. J. Quant. Chem. 41, 729 (1992)

---

Search publication records

webmaster-at-theochem.kth.se