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Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory
Dayou Zhang,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
39
Scopus citations
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Dive into the research topics of 'Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory'. Together they form a unique fingerprint.
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Engineering & Materials Science
Density functional theory
84%
Transition metals
83%
Wave functions
78%
Molecules
36%
Set theory
36%
Metal complexes
30%
Magnetic properties
23%
Polarization
17%
Geometry
11%
Costs
7%
Experiments
6%
Chemical Compounds
Spin Splitting
100%
Wave Function
66%
Transition Element
41%
Density Functional Theory
35%
Energy
26%
CCSD
24%
Spin State
12%
Chemical Species
12%
Magnetic Property
9%
Polarization
8%
Molecule
7%
Reaction Yield
4%
Physics & Astronomy
transition metals
47%
wave functions
44%
density functional theory
43%
energy
16%
molecules
12%
reactivity
11%
functionals
10%
costs
8%
magnetic properties
7%
geometry
6%
polarization
6%