Angeli C - Search Results

1

O 1s --> sigma* resonance in O2: inadequacy of only two exchange-split components.

Piancastelli MN, Kivimäki A, Carravetta V, Cacelli I, Cimiraglia R, Angeli C, Wang H, Coreno M, de Simone M, Turri G, Prince KC. Piancastelli MN, et al. Among authors: angeli c. Phys Rev Lett. 2002 Jun 17;88(24):243002. doi: 10.1103/PhysRevLett.88.243002. Epub 2002 Jun 3. Phys Rev Lett. 2002. PMID: 12059294

2

Constant-atomic-final-state filtering of dissociative states in the O1s-->sigma* core excitation in O2.

Hjelte I, Björneholm O, Carravetta V, Angeli C, Cimiraglia R, Wiesner K, Svensson S, Piancastelli MN. Hjelte I, et al. Among authors: angeli c. J Chem Phys. 2005 Aug 8;123(6):64314. doi: 10.1063/1.1995689. J Chem Phys. 2005. PMID: 16122315

3

X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s-->sigma* resonance: experiment and theory.

Feifel R, Velkov Y, Carravetta V, Angeli C, Cimiraglia R, Sałek P, Gel'mukhanov F, Sorensen SL, Piancaśtelli MN, De Fanis A, Okada K, Kitajima M, Tanaka T, Tanaka H, Ueda K. Feifel R, et al. Among authors: angeli c. J Chem Phys. 2008 Feb 14;128(6):064304. doi: 10.1063/1.2831920. J Chem Phys. 2008. PMID: 18282035

4

Some useful odds and ends from the n-electron valence state perturbation theory.

Angeli C, Cimiraglia R. Angeli C, et al. J Phys Chem A. 2014 Aug 21;118(33):6435-9. doi: 10.1021/jp5019263. Epub 2014 May 7. J Phys Chem A. 2014. PMID: 24784926

5

An ab initio multireference perturbation theory study on the manganese dimer.

Angeli C, Cavallini A, Cimiraglia R. Angeli C, et al. J Chem Phys. 2008 Jun 28;128(24):244317. doi: 10.1063/1.2949100. J Chem Phys. 2008. PMID: 18601342

6

Assessment of multireference perturbation methods for chemical reaction barrier heights.

Fracchia F, Cimiraglia R, Angeli C. Fracchia F, et al. Among authors: angeli c. J Phys Chem A. 2015 May 28;119(21):5490-5. doi: 10.1021/jp512669z. Epub 2015 Feb 20. J Phys Chem A. 2015. PMID: 25662748

7

Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study.

Angeli C, Cavallini A, Cimiraglia R. Angeli C, et al. J Chem Phys. 2007 Aug 21;127(7):074306. doi: 10.1063/1.2768529. J Chem Phys. 2007. PMID: 17718612

8

A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach.

Angeli C, Borini S, Cestari M, Cimiraglia R. Angeli C, et al. J Chem Phys. 2004 Sep 1;121(9):4043-9. doi: 10.1063/1.1778711. J Chem Phys. 2004. PMID: 15332949

9

Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde, and acetone.

Angeli C, Borini S, Ferrighi L, Cimiraglia R. Angeli C, et al. J Chem Phys. 2005 Mar 15;122(11):114304. doi: 10.1063/1.1862236. J Chem Phys. 2005. PMID: 15836212

10

A convenient decontraction procedure of internally contracted state-specific multireference algorithms.

Angeli C, Calzado CJ, Cimiraglia R, Malrieu JP. Angeli C, et al. J Chem Phys. 2006 Jun 21;124(23):234109. doi: 10.1063/1.2202738. J Chem Phys. 2006. PMID: 16821909

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