Tarantelli F - Search Results

1

Electron density fitting for the Coulomb problem in relativistic density-functional theory.

Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM. Belpassi L, et al. Among authors: tarantelli f. J Chem Phys. 2006 Mar 28;124(12):124104. doi: 10.1063/1.2179420. J Chem Phys. 2006. PMID: 16599659

2

Computational strategies for a four-component Dirac-Kohn-Sham program: implementation and first applications.

Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM. Belpassi L, et al. Among authors: tarantelli f. J Chem Phys. 2005 May 8;122(18):184109. doi: 10.1063/1.1897383. J Chem Phys. 2005. PMID: 15918696

3

Nuclear electric quadrupole moment of gold.

Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM, van Stralen JN, Visscher L. Belpassi L, et al. Among authors: tarantelli f. J Chem Phys. 2007 Feb 14;126(6):064314. doi: 10.1063/1.2436881. J Chem Phys. 2007. PMID: 17313222

4

Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory.

Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM. Belpassi L, et al. Among authors: tarantelli f. J Chem Phys. 2008 Mar 28;128(12):124108. doi: 10.1063/1.2868770. J Chem Phys. 2008. PMID: 18376909

5

Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations.

Belpassi L, Storchi L, Quiney HM, Tarantelli F. Belpassi L, et al. Among authors: tarantelli f. Phys Chem Chem Phys. 2011 Jul 21;13(27):12368-94. doi: 10.1039/c1cp20569b. Epub 2011 Jun 13. Phys Chem Chem Phys. 2011. PMID: 21670843

6

An Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach.

Storchi L, Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM. Storchi L, et al. Among authors: tarantelli f. J Chem Theory Comput. 2010 Feb 9;6(2):384-94. doi: 10.1021/ct900539m. J Chem Theory Comput. 2010. PMID: 26617297

7

BERTHA: Implementation of a four-component Dirac-Kohn-Sham relativistic framework.

Belpassi L, De Santis M, Quiney HM, Tarantelli F, Storchi L. Belpassi L, et al. Among authors: tarantelli f. J Chem Phys. 2020 Apr 30;152(16):164118. doi: 10.1063/5.0002831. J Chem Phys. 2020. PMID: 32357778

8

The electronic structure of alkali aurides. A four-component Dirac-Kohn-Sham study.

Belpassi L, Tarantelli F, Sgamellotti A, Quiney HM. Belpassi L, et al. Among authors: tarantelli f. J Phys Chem A. 2006 Apr 6;110(13):4543-54. doi: 10.1021/jp054938w. J Phys Chem A. 2006. PMID: 16571062

9

The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods.

Belpassi L, Infante I, Tarantelli F, Visscher L. Belpassi L, et al. Among authors: tarantelli f. J Am Chem Soc. 2008 Jan 23;130(3):1048-60. doi: 10.1021/ja0772647. J Am Chem Soc. 2008. PMID: 18161976

10

Ion pairing in cationic olefin-gold(I) complexes.

Zuccaccia D, Belpassi L, Tarantelli F, Macchioni A. Zuccaccia D, et al. Among authors: tarantelli f. J Am Chem Soc. 2009 Mar 11;131(9):3170-1. doi: 10.1021/ja809998y. J Am Chem Soc. 2009. PMID: 19219980

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