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Gradients and Non-Adiabatic Derivative Coupling Terms for Spin-Orbit Wavefunctions

Lachlan T. Belcher

Paperback

Current price ₹1,814
Original price ₹2,018
Original price ₹2,018
Original price ₹2,018
(-10%)
₹1,814
Current price ₹1,814

• Author(s): Lachlan T. Belcher • Publisher: Hutson Street Press • Publisher Imprint: Hutson Street Press • BISAC: Chemistry - Physical & TheoreticalAnalytic gradients of electronic eigenvalues require one calculation per nuclear geometry, co...

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Gradients and Non-Adiabatic Derivative Coupling Terms for Spin-Orbit Wavefunctions

Lachlan T. Belcher

Paperback

Current price ₹5,141
Original price ₹5,813
Original price ₹5,813
Original price ₹5,813
(-12%)
₹5,141
Current price ₹5,141

• Author(s): Lachlan T. Belcher • Publisher: Biblioscholar • Publisher Imprint: Biblioscholar • BISAC: GeneralAnalytic gradients of electronic eigenvalues require one calculation per nuclear geometry, compared to 3n calculations for finite differ...

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