Search Results - "Mitás, L"

Fixed-node diffusion Monte Carlo method for lithium systems by Rasch, K. M., Mitas, L.

“…We study lithium systems over a range of a number of atoms, specifically atomic anion, dimer, metallic cluster, and body-centered-cubic crystal, using the…”
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Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene by Frank, T., Derian, R., Tokár, K., Mitas, L., Fabian, J., Štich, I.

“…The quantum Monte Carlo (QMC) method is applied to obtain the fundamental (quasiparticle) electronic band gapΔfof a semiconducting two-dimensional phosphorene…”
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Quantum Monte Carlo simulations of solids by Foulkes, W. M. C., Mitas, L., Needs, R. J., Rajagopal, G.

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Spin multiplicity and symmetry breaking in vanadium-benzene complexes by Horváthová, L, Dubecký, M, Mitas, L, Stich, I

“…We present accurate quantum Monte Carlo (QMC) calculations which enabled us to determine the structure, spin multiplicity, ionization energy, dissociation…”
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Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations by Bajdich, M, Mitas, L, Drobný, G, Wagner, L K, Schmidt, K E

“…We investigate the accuracy of trial wave functions for quantum Monte Carlo based on Pfaffian functional form with singlet and triplet pairing. Using a set of…”
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Quantum Monte Carlo study of one-dimensional transition-metal organometallic cluster systems and their suitability as spin filters by Horváthová, L., Derian, R., Mitas, L., Štich, I.

“…We present calculations of the electronic and magnetic structures of vanadium-benzene (Bz) multidecker clusters V sub(n) B sub(Zn+1) (n = 1-3) using advanced…”
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Observation of a magic discrete family of ultrabright Si nanoparticles by Belomoin, G., Therrien, J., Smith, A., Rao, S., Twesten, R., Chaieb, S., Nayfeh, M. H., Wagner, L., Mitas, L.

“…We demonstrate that electrochemically etched, hydrogen capped SinHx clusters with n larger than 20 are obtained within a family of discrete sizes. These sizes…”
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Colossal band gap response of single-layer phosphorene to strain predicted by quantum Monte Carlo by Huang, Y., Faizan, A., Manzoor, M., Brndiar, J., Mitas, L., Fabian, J., Štich, I.

“…Straintronics is an emerging field enabling novel tuneable functionalities of electronic, optical, magnetic, or spin devices with advances being fuelled by new…”
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The role of the NOD2/CARD15 gene in surgical treatment prediction in patients with Crohn’s disease by Kunovsky, L., Kala, Z., Marek, F., Dolina, J., Poredska, K., Kucerova, L., Benesova, K., Mitas, L.

“…Purpose Crohn’s disease (CD) belongs to chronic disorders with unpredictable disease course. The aim of this study was to identify how genetic testing…”
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Quantum Monte Carlo Study of π‑Bonded Transition Metal Organometallics: Neutral and Cationic Vanadium–Benzene and Cobalt–Benzene Half Sandwiches by Horváthová, L, Dubecký, M, Mitas, L, Štich, I

“…We present accurate quantum Monte Carlo (QMC) calculations that enabled us to determine the structure, spin multiplicity, ionization energy, dissociation…”
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Semi-Quantitative Comparison of Infrared Thermography with Indocyanine Green Imaging in Porcine Intestinal Resection by Bernard, V., Staffa, E., Čan, V., Farkašová, M., Pokorná, J., Mitáš, L., Zetelová, A., Mornstein, V., Kala, Z.

“…The quality of intestinal blood supply is extremely important for healing of intestinal anastomoses. During the surgery the blood supply of the intestine may…”
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Simultaneous spline approximation and topographic analysis for lidar elevation data in open-source GIS by Mitasova, H., Mitas, L., Harmon, R.S.

“…Application of a spline approximation method to computation and analysis of lidar-based digital elevation models is investigated to determine its accuracy and…”
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Distributed soil erosion simulation for effective erosion prevention by Mitas, L. (University of Illinois at Urbana-Champaign.), Mitasova, H

“…We present a bivariate model of erosion, sediment transport, and deposition by overland flow, designed for complex terrain, soil, and cover conditions. We use…”
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Structure and stability of molecular carbon: Importance of electron correlation by Grossman, JC, Mitas, L, Raghavachari, K

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Quality of life after bowel resection for Crohn´s disease - first results by Kunovsky, L, Kala, Z, Mitas, L, Dolina, J, Can, V, Kucerova, L, Jadczakova, V, Penka, I

“…Crohn´s disease (CD) highly affects a patient´s quality of life. The aim of the study was to find out the impact of surgery on the quality of life (QoL) in CD…”
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Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods by Bajdich, M., Mitas, L., Wagner, L. K., Schmidt, K. E.

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Ground-state reconstruction of the Si(0 0 1) surface: symmetric versus buckled dimers by Bokes, P, Štich, I, Mitas, L

“…An extensive computational study is presented with the quest to investigate the nature of the ground-state geometry of the Si(0 0 1) surface, a subject of…”
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Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids by Mitás, L, Martin, RM

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High Accuracy Molecular Heats of Formation and Reaction Barriers: Essential Role of Electron Correlation by Grossman, Jeffrey C., Mitas, Lubos

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Persistent current of correlated electrons in mesoscopic ring with impurity by Krčmár, R., Gendiar, A., Moško, M., Németh, R., Vagner, P., Mitas, L.

“…The persistent current of correlated electrons in a continuous one-dimensional ring with a single scatterer is calculated by solving the many-body Schrodinger…”
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