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Koopmans' theorem

Known as: Koopman's Theorem, Koopman, Koopmann's theorem 
Koopmans' theorem states that in closed-shell Hartree–Fock theory, the first ionization energy of a molecular system is equal to the negative of the… 
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Related topics

Related topics

9 relations
Basis set (chemistry)Density functional theoryHartree–Fock methodHückel method

Broader (1)

Computational chemistry

Papers overview

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Review
2016
Review
2016
The Similarities and Differences among Three Major Inter-Country Input-Output Databases and their Implications for Trade in Value- Added Estimates
This paper compares three inter-country input-output (ICIO) databases with official statistics as well as their respective… 
2010
2010
Attitude of Youths towards the Use of Condom in Heterosexual Intercourse in Ekpoma Nigeria
Abstract This study examined the attitude of youths towards the use of condom. The study was carried out in Ekpoma, the… 
2005
2005
A new species of Lonchophylla Thomas (Chiroptera: Phyllostomidae) from Ecuador
ABSTRACT We describe Lonchophylla orcesi, sp. nov., from the Chocó, a region of high biotic diversity, endemism, and rainfall… 
2003
2003
Age and aerobic exercise training effects on whole body and muscle protein metabolism
[PDF] [Full Text] [Abstract] , May , 2010; 108 (5): 1410-1416. J Appl Physiol J. M. Dickinson, J. D. Lee, B. E. Sullivan, M. P… 
2002
2002
Surgical Atlas of Pediatric Otolaryngology
I. Otologic Surgery Tympanostomy Tubes and Related Procedures- Charles D. Bluestone Approaches to the Middle Ear and Mastoid… 
1999
1999
Validation of GOME total ozone by means of the Norwegian ozone monitoring network
The Global Ozone Monitoring Experiment (GOME) onboard the ERS-2 satellite has been in operation since July 1995. The Norwegian… 
1998
1998
Simulations to Evaluate HIV Vaccine Trial Designs
Many HIV vaccine trials have been proposed to evaluate susceptibility of individuals. However, vac cines may also affect an… 
Review
1995
Review
1995
Review of the Tonatia bidens complex (Mammalia: Chiroptera), with descriptions of two new subspecies
Tonatia bidens has a broad distribution in Central and South America; the only extant form is monotypic. Our analysis reveals two… 
1991
1991
Grammatical relations, thematic roles and verb semantics
Grammatical relations have always constituted a primary focus of attention in the study of language. Within the last three… 
1973
1973
Some Search Problems with False Contacts
This paper describes and discusses some search problems, starting with the case of no false contacts, to provide a foundation for… 
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