The influence of orbital rotation on the energy of closed-shell wavefunctions Conferences

authors

• Limacher, Peter A
• Kim, Taewon D
• Ayers, Paul
• Johnson, Paul A
• De Baerdemacker, Stijn
• Van Neck, Dimitri
• Bultinck, Patrick

status

• published 

publication date

• March 19, 2014

has subject area

• 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics (FoR)
• 0306 Physical Chemistry (incl. Structural) (FoR)
• 0307 Theoretical and Computational Chemistry (FoR)
• Chemical Physics (Science Metrix)

published in

• Molecular Physics  Journal

presented at event

• International conference, Molecular Quantum Mechanics  Conference

keywords

• BERYLLIUM ATOM
• Chemistry
• Chemistry, Physical
• EQUATIONS
• EXCITED-STATES
• MATRIX
• MCSCF METHODS
• MODEL
• MOLECULES
• NONORTHOGONAL GEMINALS
• Physical Sciences
• Physics
• Physics, Atomic, Molecular & Chemical
• SYSTEMS
• Science & Technology
• closed-shell wavefunction
• doubly-occupied configuration interaction
• orbital optimisation
• static electron correlation

Digital Object Identifier (DOI)

• 10.1080/00268976.2013.874600

start page

• 853

end page

• 862

volume

• 112

issue

• 5-6