TY - JOUR
T1 - Geometric energy transfer in two-component systems
AU - Requist, Ryan
AU - Li, Chen
AU - Gross, Eberhard K.U.
N1 - Publisher Copyright:
© 2022 The Authors.
PY - 2022
Y1 - 2022
N2 - Factoring a wave function into marginal and conditional factors partitions the subsystem kinetic energy into two terms. The first depends solely on the marginal wave function, through its gauge-covariant derivative, while the second depends on the quantum metric of the conditional wave function over the manifold of marginal variables. We derive an identity for the rate of change of the second term. This article is part of the theme issue 'Chemistry without the Born-Oppenheimer approximation'.
AB - Factoring a wave function into marginal and conditional factors partitions the subsystem kinetic energy into two terms. The first depends solely on the marginal wave function, through its gauge-covariant derivative, while the second depends on the quantum metric of the conditional wave function over the manifold of marginal variables. We derive an identity for the rate of change of the second term. This article is part of the theme issue 'Chemistry without the Born-Oppenheimer approximation'.
KW - energy transfer
KW - non-adiabatic effects
KW - quantum metric tensor
UR - http://www.scopus.com/inward/record.url?scp=85127269181&partnerID=8YFLogxK
U2 - 10.1098/rsta.2020.0383
DO - 10.1098/rsta.2020.0383
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C2 - 35341302
AN - SCOPUS:85127269181
SN - 1364-503X
VL - 380
JO - Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
JF - Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
IS - 2223
M1 - 20200383
ER -