cusp conditions Recently Published Documents

Cusp conditions for two electrons atoms in the Hylleraas aproximation

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/aac3c2 ◽

2018 ◽

Vol 51 (13) ◽

pp. 135001 ◽

Cited By ~ 1

Author(s):

F S Carvalho ◽

J P Braga

Keyword(s):

Hylleraas- and Kinoshita-type wave functions with correct cusp conditions

Physical Review A ◽

10.1103/physreva.96.052506 ◽

2017 ◽

Vol 96 (5) ◽

Cited By ~ 1

Author(s):

I. Hornyak ◽

A. T. Kruppa

Keyword(s):

Wave Functions ◽

Type Wave ◽

Generic expansion of the Jastrow correlation factor in polynomials satisfying symmetry and cusp conditions

10.1063/1.4909554 ◽

2015 ◽

Vol 142 (8) ◽

pp. 084111 ◽

Cited By ~ 8

Author(s):

Arne Lüchow ◽

Alexander Sturm ◽

Christoph Schulte ◽

Kaveh Haghighi Mood

Keyword(s):

Correlation Factor ◽

Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets

International Journal of Quantum Chemistry ◽

10.1002/qua.24657 ◽

2014 ◽

Vol 114 (20) ◽

pp. 1393-1400 ◽

Cited By ~ 1

Author(s):

Jaime Fernández Rico ◽

Rafael López ◽

Ignacio Ema ◽

Guillermo Ramírez

Keyword(s):

Basis Sets ◽

Cusp Conditions ◽

Molecular Calculations ◽

Slater Basis

Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations

10.1063/1.3496373 ◽

2010 ◽

Vol 133 (17) ◽

pp. 174118 ◽

Cited By ~ 34

Author(s):

Andreas Köhn

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Explicitly Correlated ◽

Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12)

10.1063/1.3496372 ◽

2010 ◽

Vol 133 (17) ◽

pp. 174117 ◽

Cited By ~ 30

Author(s):

Andreas Köhn ◽

David P. Tew

Keyword(s):

Perturbation Analysis ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Explicitly Correlated ◽

Ground- and excited-state cusp conditions for the pair density

Physical Review A ◽

10.1103/physreva.82.042510 ◽

2010 ◽

Vol 82 (4) ◽

Cited By ~ 6

Author(s):

Á. Nagy ◽

C. Amovilli

Keyword(s):

Excited State ◽

Pair Density ◽

Response properties with explicitly correlated coupled-cluster methods using a Slater-type correlation factor and cusp conditions

10.1063/1.3238237 ◽

2009 ◽

Vol 131 (12) ◽

pp. 124118 ◽

Cited By ~ 40

Author(s):

Matthias Hanauer ◽

Andreas Köhn

Keyword(s):

Correlation Factor ◽

Coupled Cluster ◽

Slater Type ◽

Response Properties ◽

Coupled Cluster Methods ◽

Explicitly Correlated ◽

Cusp Conditions ◽

Cluster Methods

World Scientific Series in 20th Century Physics - Many-Body Theory of Molecules, Clusters, and Condensed Phases ◽

Nuclear cusp conditions for components of the molecular energy density relevant for density-functional theory

10.1142/9789814271783_0083 ◽

2009 ◽

pp. 650-654

Author(s):

N. H. March ◽

I. A. Howard ◽

A. Holas ◽

P. Senet ◽

V. E. Van Doren

Keyword(s):

Density Functional Theory ◽

Energy Density ◽

Density Functional ◽

Functional Theory ◽