State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

Lorenzo Ugo Ancarani is at Université de Lorraine, Metz, France

1. Computing accurate molecular properties in real space using multiresolution analysisFlorian A. Bischoff

2. Hypergeometric orthogonal polynomials as expansion basis sets for atomic and molecular orbitals: The Jacobi ladderCecilia Coletti, Vincenzo Aquilanti and Federico Palazzetti

3. Two-dimensional Sturmian basis set for bound state calculationsJuan Martin Randazzo and Lorenzo Ugo Ancarani

4. Normalizing cluster wavefunctions in the interstitial region within the muffin-tin approximationDaniel Gebremedhin, Charles Weatherford and Brian Wilson

5. Self-consistent electron-nucleus cusp correction for molecular orbitalsPierre-Francois Loos, Anthony Scemama and Michel Caffarel

6. Configuration interaction study of the 3P ground and low-lying states of the boron anion: The boron electron affinityMaría Belén Ruiz

7. Advances in approximate natural orbital functional theory

Ion Mitxelena, Mario Piris and Jesus M. Ugalde

8. Collision processes in atoms and molecules using effective potentialsAlejandra M.P. Mendez, Dario M. Mitnik and Jorge E. Miraglia

9. Unified construction of Fermi, Pauli, and exchange-correlation potentialsViktor N. Staroverov and Egor Ospadov

10. Potential energy curves of the NaH molecule and its cation with the Fock space coupled cluster methodArtur Lison, Monika Musial and Stanislaw A. Kucharski

11. An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis setsJohanna P. Carbone, Lan Cheng, Rolf H. Myhre, Devin Matthews, Henrik Koch and Sonia Coriani

12. Determination of electronic couplings in the singlet fission process using a nonorthogonal configuration interaction approachLuis Enrique Aguilar Suarez, R. K. Kathir, Enrico Siagri, Remco W. A. Havenith and Shirin Faraji

13. Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitionsGabriel Breuil, Kaltrina Shehu, Elise Lognon, Sylvain Pitie,