Poul Jorgensen – författare
Visar alla böcker från författaren Poul Jorgensen. Handla med fri frakt och snabb leverans.
6 produkter
Molecular Electronic-Structure Theory
Av Trygve Helgaker, Poul Jorgensen m. fl.
Inbunden, 2000
8108 kr
Lägg i varukorg
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous …
Molecular Electronic-Structure Theory
Av Trygve Helgaker, Poul Jorgensen m. fl.
Häftad, 2013
1026 kr
Lägg i varukorg
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous …
Density-Functional Theory
A Convex Treatment
Av Trygve Helgaker, Poul Jorgensen m. fl.
Inbunden, 2029
1435 kr
Kommande
Density-functional theory (DFT) is a computational modelling tool used to describe molecules and materials. Different functions are used to determine the properties of electrons and molecules in solids. It is the most widely used method in electronic structure calculations in chemistry, material …
Molecular Electronic-Structure Theory
Av Jeppe Olsen, Poul Jorgensen m. fl.
E-bok, 2014
1254 kr
Lägg i varukorg
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous …
Molecular Electronic-Structure Theory
Av Jeppe Olsen, Poul Jorgensen m. fl.
E-bok, 2014
8342 kr
Lägg i varukorg
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous …
Geometrical Derivatives of Energy Surfaces and Molecular Properties
Av Jack Simons, Poul Jorgensen
E-bok, 2012
2111 kr
Lägg i varukorg
The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in …
