State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
Series: Advances in Quantum Chemistry; 79;
- Publisher's listprice EUR 215.00
-
91 203 Ft (86 860 Ft + 5% VAT)
The price is estimated because at the time of ordering we do not know what conversion rates will apply to HUF / product currency when the book arrives. In case HUF is weaker, the price increases slightly, in case HUF is stronger, the price goes lower slightly.
- Discount 20% (cc. 18 241 Ft off)
- Discounted price 72 962 Ft (69 488 Ft + 5% VAT)
91 203 Ft
Availability
printed on demand
Why don't you give exact delivery time?
Delivery time is estimated on our previous experiences. We give estimations only, because we order from outside Hungary, and the delivery time mainly depends on how quickly the publisher supplies the book. Faster or slower deliveries both happen, but we do our best to supply as quickly as possible.
Product details:
- Publisher Academic Press
- Date of Publication 5 September 2019
- ISBN 9780128161746
- Binding Hardback
- No. of pages360 pages
- Size 228x152 mm
- Weight 700 g
- Language English 35
Categories
Long description:
State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more.
MoreTable of Contents:
1. Computing accurate molecular properties in real space using multiresolution analysis
Florian A. Bischoff
2. Hypergeometric orthogonal polynomials as expansion basis sets for atomic and molecular orbitals: The Jacobi ladder
Cecilia Coletti, Vincenzo Aquilanti and Federico Palazzetti
3. Two-dimensional Sturmian basis set for bound state calculations
Juan Martin Randazzo and Lorenzo Ugo Ancarani
4. Normalizing cluster wavefunctions in the interstitial region within the muffin-tin approximation
Daniel Gebremedhin, Charles Weatherford and Brian Wilson
5. Self-consistent electron-nucleus cusp correction for molecular orbitals
Pierre-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 affinity
María 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 potentials
Alejandra M.P. Mendez, Dario M. Mitnik and Jorge E. Miraglia
9. Unified construction of Fermi, Pauli, and exchange-correlation potentials
Viktor N. Staroverov and Egor Ospadov
10. Potential energy curves of the NaH molecule and its cation with the Fock space coupled cluster method
Artur 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 sets
Johanna 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 approach
Luis 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 transitions
Gabriel Breuil, Kaltrina Shehu, Elise Lognon, Sylvain Pitie, Benjamin Lasorne
and Thibaud Etienne
14. Physisorption energy of H and H2 on clean Pt(111) as a useful surface energy reference in Quantum Monte Carlo calculation
Rajesh O. Sharma and Philip E. Hoggan
15. Stability after confinement of the H atom
Milagros F. Morcillo, Enrique F. Borja, Jose M. Alcaraz-Pelegrina and
Antonio Sarsa
More
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
Subcribe now and receive a favourable price.
Subscribe
91 203 HUF
