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Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach
Chaehyuk Ko
, Michael V. Pak
, Chet Swalina
,
Sharon Hammes-Schiffer
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Article
›
peer-review
22
Scopus citations
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Dive into the research topics of 'Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach'. Together they form a unique fingerprint.
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Keyphrases
Proton
100%
Ansatz
100%
Wave Function
100%
Electronic Orbital
100%
Nuclear Electronics
100%
Orbital Approach
100%
Geminal
44%
Kinetic Energy
33%
Energy Terms
33%
Hartree-Fock
33%
Analytical Solution
11%
Potential Energy
11%
Electronic Wave Functions
11%
Hybrid Method
11%
Molecular Orbital
11%
Variational Optimization
11%
Gaussian Sum
11%
Dynamical Correlation
11%
Truncated Expansion
11%
Energy Integral
11%
Explicitly Correlated
11%
Chemistry
Kinetic Energy
100%
Molecular Orbital
33%
Potential Energy
33%
Gaussian Distribution
33%
Analytic Solution
33%
Physics
Kinetic Energy
100%
Gaussian Distribution
33%
Potential Energy
33%