A fourth-order, density-functional, random-phase approximation study of monomer segregation in phase-separated, lamellar, diblock-copolymer melts

1993 ◽  
Vol 26 (5) ◽  
pp. 1027-1036 ◽  
Author(s):  
William E. McMullen
Keyword(s):  
Fourth Order ◽  
Diblock Copolymer ◽  
Random Phase Approximation ◽  
Density Functional ◽  
Random Phase ◽  
Phase Approximation ◽  
Copolymer Melts

scholarly journals Investigation of the rhodium-catalyzed hydroboration of NHC-boranes: the role of alkene coordination and the origin of enantioselectivity

2019 ◽  
Vol 48 (47) ◽  
pp. 17605-17611
Author(s):  
Paola Nava ◽  
Momar Toure ◽  
Amel Abdou Mohamed ◽  
Jean-Luc Parrain ◽  
Olivier Chuzel
Keyword(s):  
Density Functional Theory ◽  
Random Phase Approximation ◽  
Density Functional ◽  
Random Phase ◽  
Approximation Methods ◽  
Phase Approximation ◽  
Functional Theory

The mechanism of the intramolecular enantioselective rhodium(i)-catalyzed hydroboration of NHC-boranes is investigated by experiments and calculations, using Density Functional Theory and Random Phase Approximation methods.

A computationally efficient double hybrid density functional based on the random phase approximation

2016 ◽  
Vol 18 (31) ◽  
pp. 20926-20937 ◽  
Author(s):  
Stefan Grimme ◽  
Marc Steinmetz
Keyword(s):  
Random Phase Approximation ◽  
Density Functional ◽  
Random Phase ◽  
Phase Approximation ◽  
Computationally Efficient ◽  
Hybrid Density Functional ◽  
Wavefunction Methods

A new double hybrid density functional (PWRB95) based on GGA orbitals and RPA is presented and its performance is investigated compared to standard DFT and wavefunction methods.

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