Search Results - Condon, S L~
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Highly efficient surface hopping dynamics using a linear vibronic coupling model.
Published 2018“…The merits and applicability of the method are demonstrated in a number of applications. First, the method is applied to the SO2 molecule showing that it is possible to compute its absorption spectrum beyond the Condon approximation, and that all the main features and timescales of previous on-the-fly dynamics simulations of intersystem crossing are reproduced while reducing the computational effort by three orders of magnitude. …”
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The influence of the electronic structure method on intersystem crossing dynamics. The case of thioformaldehyde
Published 2019“…The ability of different electronic structure methods to describe correctly intersystem crossing dynamics is evaluated, using thioformaldehyde as a test case. Mischievously, all methods considered—ranging from the multi-reference methods MRCISD, MS-CASPT2, or SA-CASSCF, to the single-reference methods ADC(2), CC2, and TDDFT in different flavours— provide the same state ordering and energies of the low-lying singlet and triplet electronic excited states within an acceptable error of 0.2–0.3 eV. …”
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All work and no play? Understanding the needs of children with caring responsibilities
Published 2008“…The intention of this article is to highlight the need to move away from popular and simplistic representations of children with caring responsibilities (young carers) as victims of their parents’ illnesses, as ‘little angels’ whose caring work is condoned through rewards or as (exploited) informal domestic workers whose childhoods are inevitably compromised by the caring activity they undertake. …”
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Essay mills and other contract cheating services: to buy or not to buy and the consequences of students changing their minds
Published 2021“…This means that commercial companies providing such services can formally register and operate in most countries. If a student enters into an agreement with a contract cheating provider, what rights do they have to change their mind and what are the risks if they choose to do so? …”
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The political legacies of rebel rule: Evidence from a natural experiment in Côte d'Ivoire
Published 2022“…How does exposure to rebel rule affect citizens’ political attitudes after armed conflicts end? We combine original survey data from Cˆote d’Ivoire with a natural experiment based on the arbitrary location of a ceasefire boundary to estimate the effects of exposure to rebel rule by the Forces Nouvelles (FN) on Ivorians’ sense of democratic citizenship. …”
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