The Path-Integral Monte Carlo of Rigid Linear Molecules in Three Dimensions

References

• Scharf , D. , Klein , M. L. and Martyna , G. J. 1992 . “Path-integral Monte Carlo of orientational ordering in compressed H2” . J. Chem. Phys. , 97 : 3590
   Web of Science ®Google Scholar
• Runge , K. J. , Surh , M. P. , Mailhiot , C. and Pollock , E. L. 1992 . “Path-integral Monte Carlo studies of para-hydrogen clusters” . Phys. Rev. Let. , 69 : 3527
   PubMed Web of Science ®Google Scholar
• Marx , D. , Opitz , O. , Nielaba , P. and Binder , K. 1993 . “Quantum effects on the herringbone ordering of N2 on graphite” . Phys. Rev. Let. , 70 : 2908
   PubMed Web of Science ®Google Scholar
• Höchli , U. T. , Knorr , K. and Loidl , A. 1990 . “Orientational glasses” . Adv. Phys. , 39 : 405
   Web of Science ®Google Scholar
• Binder , K. and Reger , J. D. 1992 . “Theory of orientational glasses; Models, concepts, simulations” . Adv. Phys. , 41 : 547
   Web of Science ®Google Scholar
• Narayanamurti , V. and Pohl , R. O. 1970 . “Tunneling states of defects in solids” . Rev. Mod. Phys. , 42 : 201
   Web of Science ®Google Scholar
• Press , W. 1981 . Single-Particle Rotations in Molecular Crystals , Berlin : Springer .
   Google Scholar
• Hüller , A. and Baetz , L. 1988 . “Rotational tunneling: A computer simulation at finite temperatures” . Z. Phys. B , 572 : 47
   Google Scholar
• Würger , A. 1989 . “The temperature dependance of rotational tunneling” . Z. Phys., B , 76 : 65
   Google Scholar
• Schmidt , K. E. and Caperley , D. M. 1992 . Monte Carlo techniques for quantum fluids, solids and droplets , Edited by: Binder , K. Berlin : Springer .
   Google Scholar
• De Raedt , H. and Frick , M. 1993 . “Stochastic diagonalization” . Phys. Rep. , 231 : 107
   Google Scholar
• Marx , D. 1994 . “Rotational motion of linear molecules in three dimensions: A path-integral Monte Carlo approach” . Molecular Simulation , 12 : 33
   Web of Science ®Google Scholar
• Nielaba , P. and Binder , K. 1990 . “Lattice Deformations in a N2-Ar mixture model in the dilute limit” . Europhys. Lett. , 13 : 327
   Google Scholar
• Müser , M. H. , Helbing , W. , Nielaba , P. and Binder , K. 1994 . “Low-temperature anharmonic lattice deformations near rotator impurities: A quantum Monte Carlo approach” . Phys. Rev., E , 5 : 3956
   Google Scholar
• Takahashi , M. and Imada , M. 1984 . “Monte Carlo Calculation of Quantum Systems. II. Higher order Corrections” . J. Phys. Soc. Jpn. , 53 : 3765
   Google Scholar
• Li , X-P and Broughton , J. Q. 1987 . “High-order correction to the Trotter expansion for use in computer simulations” . J. Chem. Phys. , 86 : 5094
   Web of Science ®Google Scholar
• Chandler , D. and Wolynes , G. 1981 . “Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids” . J. Chem. Phys. , 74 : 4078
   Web of Science ®Google Scholar
• Kleinert , H. 1990 . Path-Integrals in Quantum Mechanics, Statistics and Polymer Physics , Singapore : World Scientific .
   Google Scholar
• Marx , D. , Nielaba , P. and Binder , K. 1992 . “On the calculation of the heat capacity in pathintegral Monte Carlo simulations” . Int. J. Mod. Phys., C , 3 : 337
   Google Scholar
• Sorella , S. , Baroni , S. , Car , R. and Parrinello , M. 1989 . “A novel technique for the simulation of interacting fermion systems” . Europhys. Lett. , 8 : 663
   Google Scholar
• Loh , E. Y. Jr. , Gubernatis , J. E. , Scalettar , R. T. , White , S. R. , Scalapino , D. J. and Sugar , R. L. 1990 . “Sign problem in the simulation of many-electron systems” . Phys. Rev., B , 41 : 9301
   Web of Science ®Google Scholar
• Suzuki , M. 1987 . Quantum Monte Carlo Methods in Equilibrium and Nonequilibrium Systems , Edited by: Suzuki , M. Berlin : Springer .
   Google Scholar
• Müser , M. H. and Ciccotti , G. 1995 . “Two-dimensional orientational motion as a multichannel reaction by computer simulation” . J. Chem. Phys. , 103 : 4273
   Web of Science ®Google Scholar
• Müser , M. H. , Nielaba , P. and Binder , K. 1995 . “Path-integral Monte Carlo study of crystalline Lennard-Jones systems” . Phys. Rev., B , 51 : 2723
   Web of Science ®Google Scholar
• Moshary , F. , Chen , N. H. and Silvera , I. F. 1993 . “Remarkable high pressure phase line of orientational order in solid hydrogen deuteride” . Phys. Rev. Lett. , 71 : 3814
   PubMed Web of Science ®Google Scholar
• Barrat , J. L. , Loubeyre , P. and Klein , M. L. 1989 . “Isotopic shift in the melting curve of helium: A path-integral Monte Carlo study” . J. Chem. Phys. , 90 : 5644
   Web of Science ®Google Scholar
• Boninsegni , M. , Pierloni , C. and Ceperley , D. M. 1994 . “Isotopic Shift of Helium Melting Pressure: Path-integral Monte Carlo Study” . Phys. Rev. Lett. , 72 : 1854
   PubMed Web of Science ®Google Scholar