[PDF]    http://dx.doi.org/10.3952/lithjphys.47209

Open access article / Atviros prieigos straipsnis

Lith. J. Phys. 47, 137–142 (2007)


INVESTIGATIONS OF NEUTRAL RADICAL MOLECULES SUITABLE FOR QUANTUM INFORMATION PROCESSING
J. Tamulienėa, Ž. Rinkevičiusb, and A. Tamulisa
aInstitute of Theoretical Physics and Astronomy of Vilnius University, A. Goštauto 12, LT-01108 Vilnius, Lithuania
E-mail: gicevic@itpa.lt
bRoyal Institute of Technology, SCFAB, SE-10691 Stockholm, Sweden

Received 2 May 2007; revised 28 May 2007

Neutral radical molecules as qubit systems for quantum information processing are described and the application of quantum chemistry methods in search of suitable radicals is outlined. An exemplifying calculation of the relevant magnetic properties of neutral radicals is presented and the suitability of these compounds as building blocks for a quantum computing device based on self-assembled monolayer of radicals is assessed.
Keywords: qubits, quantum computing device, neutral radical, g-tensor
PACS: 31.15.Ar


NEUTRALIŲ RADIKALŲ, TINKAMŲ KVANTINEI INFORMACIJAI APDOROTI, TYRIMAI
J. Tamulienėa, Ž. Rinkevičiusb, A. Tamulisa
aVilniaus universiteto Teorinės fizikos ir astronomijos institutas, Vilnius, Lietuva
bKarališkasis technologijos institutas, Stokholmas, Švedija

Tankio funkcionalo metodu (UB3LYP) 6-311G** bazės artinyje tirti neutralūs radikalai. Išaiškinta, kad ne visi iš jų galėtų būti panaudoti elektronų paramagnetinio rezonanso (EPR) kvantiniuose kompiuteriuose, kuriuose yra naudojami savisusirenkantys neutralių radikalų sluoksniai. Rezultatai rodo, kad tik 5-metil-6-(4-okso-2,5-cikloheksadienil)heksano rūgštis (darbe pažymėta II) ir 6-etiloktano rūgštis (III) gali būti naudojamos kvantinei informacijai apdoroti. Aukščiau minėtam informacijos apdorojimo būdui 7-butil-1-oksa-6-okso-1,2,5,6 tetra hidroantracen-2-karboksil rūgšties (I) radikalas netinka, nes elektrono sukinio orientacija yra tokia, kad jį bus sunku valdyti bei jį stipriai veiks aplinka.
Remiantis gautais g tenzoriaus tyrimo rezultatais galima teigti, kad tik III radikale yra laisvas elektronas, kurio lokalizacijos vieta yra nustatyta, todėl šis neutralus radikalas yra tinkamiausias kvantinei informacijai apdoroti.


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