Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation (Q6043326)
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scientific article; zbMATH DE number 7682610
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| English | Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation |
scientific article; zbMATH DE number 7682610 |
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Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation (English)
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5 May 2023
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vibration configuration interaction
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infrared spectrum
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iterative eigensolver
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residual error minimization
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duality
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second quantization
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0.81519586
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0.80309784
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0.8027273
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0.79953194
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0.7969295
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