Spin contamination

In computational chemistry, spin contamination is the artificial mixing of different electronic spin-states. This can occur when an approximate… (More)
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Review
2009
Review
2009
An overview of spin contamination and its relationship to broken-symmetry wave functions are presented. Spin operator expectation… (More)
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Highly Cited
2007
Highly Cited
2007
Nowadays, harmonic distortion in power systems is attracting significant attention. Traditional technical tools for harmonic… (More)
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Highly Cited
2007
Highly Cited
2007
M (Hg) is a potent neurotoxin of significant ecological and public health concern. Human and wildlife exposure to Hg occurs… (More)
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Highly Cited
2006
Highly Cited
2006
A new type of microwave radiometer detector has been developed that is capable of identifying high and low levels of radio… (More)
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Highly Cited
2002
Highly Cited
2002
ion Geographical distribution Geological distribution Source: BGS and MML 1999. High arsenic is found in oxygen-poor groundwater… (More)
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2000
2000
The propensity of approximate solutions of the electronic Schrödinger equation to break spin-symmetry is directly related to the… (More)
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Highly Cited
2000
Highly Cited
2000
In the deltaic plain of the Ganges-Meghna-Brahmaputra Rivers, arsenic concentrations in groundwater commonly exceed regulatory… (More)
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Highly Cited
2000
Highly Cited
2000
  • 2000
The increasing vehicle traffic associated with urban sprawl in the United States is frequently linked to degradation of air… (More)
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Highly Cited
1994
Highly Cited
1994
Recent studies have revealed that tumors in patients with hereditary nonpolyposis colon cancer are associated with high-frequency… (More)
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Highly Cited
1989
Highly Cited
1989
improved contamination performance for HVDC and HVAC. 5. For the range of post diameter tested, the difference in HVDC… (More)
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